3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

C16H28N4O — CID 106138049

IUPAC3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCCCNc1ncnc(NCC2CCC(O)C2)c1C(C)C
InChIInChI=1S/C16H28N4O/c1-4-7-17-15-14(11(2)3)16(20-10-19-15)18-9-12-5-6-13(21)8-12/h10-13,21H,4-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyINGINRGFFUGMOQ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.99
Rot. Bonds7

About 3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 106138049) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
PubChem CID106138049
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCCCNc1ncnc(NCC2CCC(O)C2)c1C(C)C
InChIInChI=1S/C16H28N4O/c1-4-7-17-15-14(11(2)3)16(20-10-19-15)18-9-12-5-6-13(21)8-12/h10-13,21H,4-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyINGINRGFFUGMOQ-UHFFFAOYSA-N
XLogP2.99
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

3-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106138684
3-[[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80855486
3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137969
4-N-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424
6-hydrazinyl-N-[2-(4-methylcyclohexyl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 80906560
2-methyl-3-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80840418
3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106137194
2-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80819527
3-[[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138769
4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80765380
2-[cyclopropyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80811423
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80839941

Frequently Asked Questions

What is the IUPAC name of 3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (CID 106138049) is 3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is CCCNc1ncnc(NCC2CCC(O)C2)c1C(C)C.
What is the InChIKey of 3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is INGINRGFFUGMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-7-17-15-14(11(2)3)16(20-10-19-15)18-9-12-5-6-13(21)8-12/h10-13,21H,4-9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 292.43 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106138049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).