[3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

C11H18ClN5O — CID 134891684

IUPAC[3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESNc1nc(Cl)c(N)c(NCC2CCC(CO)C2)n1
InChIInChI=1S/C11H18ClN5O/c12-9-8(13)10(17-11(14)16-9)15-4-6-1-2-7(3-6)5-18/h6-7,18H,1-5,13H2,(H3,14,15,16,17)
InChIKeyBAMYDIMKHWKIAF-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.11
Rot. Bonds4

About [3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

[3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 134891684) has the molecular formula C11H18ClN5O and a molecular weight of 271.75 g/mol. Its IUPAC name is [3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
PubChem CID134891684
Molecular FormulaC11H18ClN5O
Molecular Weight271.75 g/mol
Exact Mass271.12
IUPAC Name[3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESNc1nc(Cl)c(N)c(NCC2CCC(CO)C2)n1
InChIInChI=1S/C11H18ClN5O/c12-9-8(13)10(17-11(14)16-9)15-4-6-1-2-7(3-6)5-18/h6-7,18H,1-5,13H2,(H3,14,15,16,17)
InChIKeyBAMYDIMKHWKIAF-UHFFFAOYSA-N
XLogP1.11
TPSA110.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (CID 134891684) is [3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is Nc1nc(Cl)c(N)c(NCC2CCC(CO)C2)n1.
What is the InChIKey of [3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is BAMYDIMKHWKIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O/c12-9-8(13)10(17-11(14)16-9)15-4-6-1-2-7(3-6)5-18/h6-7,18H,1-5,13H2,(H3,14,15,16,17).
What are the key properties of [3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
[3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 271.75 g/mol, XLogP of 1.11, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 134891684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).