6-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine

C14H19N5O — CID 50830645

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(NCC3CCCO3)ncn2)n1
InChIInChI=1S/C14H19N5O/c1-10-6-11(2)19(18-10)14-7-13(16-9-17-14)15-8-12-4-3-5-20-12/h6-7,9,12H,3-5,8H2,1-2H3,(H,15,16,17)
InChIKeyYYFUHAVWMYGASO-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.87
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine

6-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 50830645) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
PubChem CID50830645
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(NCC3CCCO3)ncn2)n1
InChIInChI=1S/C14H19N5O/c1-10-6-11(2)19(18-10)14-7-13(16-9-17-14)15-8-12-4-3-5-20-12/h6-7,9,12H,3-5,8H2,1-2H3,(H,15,16,17)
InChIKeyYYFUHAVWMYGASO-UHFFFAOYSA-N
XLogP1.87
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 138033732
4-N-(4-methoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857303
N-[3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112857317
4-N-(4-ethylphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857276
4-N-(2-methoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857301
6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 50830713
6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 77233652
N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine
CID 1408931
6-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 53015130
4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42906161
3-cyclohexyl-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide
CID 121072377

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine (CID 50830645) is 6-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine is Cc1cc(C)n(-c2cc(NCC3CCCO3)ncn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is YYFUHAVWMYGASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-6-11(2)19(18-10)14-7-13(16-9-17-14)15-8-12-4-3-5-20-12/h6-7,9,12H,3-5,8H2,1-2H3,(H,15,16,17).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 50830645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).