2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol

C16H25N5O — CID 75434721

IUPAC2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol
SMILESCC(C)c1cc(NCC(O)c2cnn(C)c2)nc(C(C)C)n1
InChIInChI=1S/C16H25N5O/c1-10(2)13-6-15(20-16(19-13)11(3)4)17-8-14(22)12-7-18-21(5)9-12/h6-7,9-11,14,22H,8H2,1-5H3,(H,17,19,20)
InChIKeySBIWPNGFIYMFAO-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.60
Rot. Bonds6

About 2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol

2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 75434721) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID75434721
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol
SMILESCC(C)c1cc(NCC(O)c2cnn(C)c2)nc(C(C)C)n1
InChIInChI=1S/C16H25N5O/c1-10(2)13-6-15(20-16(19-13)11(3)4)17-8-14(22)12-7-18-21(5)9-12/h6-7,9-11,14,22H,8H2,1-5H3,(H,17,19,20)
InChIKeySBIWPNGFIYMFAO-UHFFFAOYSA-N
XLogP2.60
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol with MolForge

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Related Compounds

N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
CID 115723874
1-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 133323484
6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957808
3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol
CID 114981879
2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288462
6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 78955267
N-[2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 133407556
2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 133323673
2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
CID 115905958
2-[(3-chloro-5-nitro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 133323518
1-(1-methylpyrazol-4-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanol
CID 133323532

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol (CID 75434721) is 2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol is CC(C)c1cc(NCC(O)c2cnn(C)c2)nc(C(C)C)n1.
What is the InChIKey of 2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is SBIWPNGFIYMFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-10(2)13-6-15(20-16(19-13)11(3)4)17-8-14(22)12-7-18-21(5)9-12/h6-7,9-11,14,22H,8H2,1-5H3,(H,17,19,20).
What are the key properties of 2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol?
2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 303.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 75434721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).