2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide

C21H26N6O3 — CID 140531277

IUPAC2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
SMILESCc1cc(C)n(-c2cc(N(CC(N)=O)C[C@@H]3CCCO3)nc(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C21H26N6O3/c1-13-9-14(2)27(25-13)20-10-19(23-21(24-20)17-7-6-15(3)30-17)26(12-18(22)28)11-16-5-4-8-29-16/h6-7,9-10,16H,4-5,8,11-12H2,1-3H3,(H2,22,28)/t16-/m0/s1
InChIKeyKJMOUEYSSVDTTL-INIZCTEOSA-N
MW410.48 g/mol
LogP2.32
Rot. Bonds7

About 2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide

2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide (PubChem CID 140531277) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide.

Molecular Properties

Compound Name2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
PubChem CID140531277
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
SMILESCc1cc(C)n(-c2cc(N(CC(N)=O)C[C@@H]3CCCO3)nc(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C21H26N6O3/c1-13-9-14(2)27(25-13)20-10-19(23-21(24-20)17-7-6-15(3)30-17)26(12-18(22)28)11-16-5-4-8-29-16/h6-7,9-10,16H,4-5,8,11-12H2,1-3H3,(H2,22,28)/t16-/m0/s1
InChIKeyKJMOUEYSSVDTTL-INIZCTEOSA-N
XLogP2.32
TPSA112.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(aminomethyl)piperidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
CID 24824458
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolidin-1-yl]acetamide
CID 67052019
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95597649
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide
CID 57473451
4-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
CID 156789758
4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42906161
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 97456837
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 24824324
N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 72926752
1-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-3-(oxolan-2-ylmethyl)urea
CID 126936889
4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80800047
4-[ethyl(oxolan-2-ylmethyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052982

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide?
The IUPAC name of 2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide (CID 140531277) is 2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide.
What is the SMILES notation for 2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide?
The canonical SMILES for 2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide is Cc1cc(C)n(-c2cc(N(CC(N)=O)C[C@@H]3CCCO3)nc(-c3ccc(C)o3)n2)n1.
What is the InChIKey of 2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide?
The InChIKey is KJMOUEYSSVDTTL-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-13-9-14(2)27(25-13)20-10-19(23-21(24-20)17-7-6-15(3)30-17)26(12-18(22)28)11-16-5-4-8-29-16/h6-7,9-10,16H,4-5,8,11-12H2,1-3H3,(H2,22,28)/t16-/m0/s1.
What are the key properties of 2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide?
2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide has a molecular weight of 410.48 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 140531277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).