2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol

C15H28N4O — CID 80809962

IUPAC2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
SMILESCCCNc1nc(C)cc(N(CCO)C(CC)CC)n1
InChIInChI=1S/C15H28N4O/c1-5-8-16-15-17-12(4)11-14(18-15)19(9-10-20)13(6-2)7-3/h11,13,20H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyVRCVCPFJFZYIOS-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.59
Rot. Bonds9

About 2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol

2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol (PubChem CID 80809962) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
PubChem CID80809962
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
SMILESCCCNc1nc(C)cc(N(CCO)C(CC)CC)n1
InChIInChI=1S/C15H28N4O/c1-5-8-16-15-17-12(4)11-14(18-15)19(9-10-20)13(6-2)7-3/h11,13,20H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyVRCVCPFJFZYIOS-UHFFFAOYSA-N
XLogP2.59
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol with MolForge

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Related Compounds

2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80810928
2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80790816
2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 54999005
2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 107495085
4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80849332
4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796012
4-N,6-dimethyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80793518
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine
CID 80816858
2-[ethyl-[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethanol
CID 80791333
2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 80775316
4-[2-hydroxyethyl(pentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136979604
N-methyl-2-[methyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80780270

Frequently Asked Questions

What is the IUPAC name of 2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol (CID 80809962) is 2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol is CCCNc1nc(C)cc(N(CCO)C(CC)CC)n1.
What is the InChIKey of 2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol?
The InChIKey is VRCVCPFJFZYIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-8-16-15-17-12(4)11-14(18-15)19(9-10-20)13(6-2)7-3/h11,13,20H,5-10H2,1-4H3,(H,16,17,18).
What are the key properties of 2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol?
2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol has a molecular weight of 280.42 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol is sourced from PubChem (CID 80809962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).