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

C10H16ClN5O — CID 134891728

IUPAC[3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
SMILESNc1nc(Cl)c(N)c(NCC2CC(CO)C2)n1
InChIInChI=1S/C10H16ClN5O/c11-8-7(12)9(16-10(13)15-8)14-3-5-1-6(2-5)4-17/h5-6,17H,1-4,12H2,(H3,13,14,15,16)
InChIKeyNDLZPDHTRXRPMG-UHFFFAOYSA-N
MW257.73 g/mol
LogP0.72
Rot. Bonds4

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

[3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol (PubChem CID 134891728) has the molecular formula C10H16ClN5O and a molecular weight of 257.73 g/mol. Its IUPAC name is [3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
PubChem CID134891728
Molecular FormulaC10H16ClN5O
Molecular Weight257.73 g/mol
Exact Mass257.10
IUPAC Name[3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
SMILESNc1nc(Cl)c(N)c(NCC2CC(CO)C2)n1
InChIInChI=1S/C10H16ClN5O/c11-8-7(12)9(16-10(13)15-8)14-3-5-1-6(2-5)4-17/h5-6,17H,1-4,12H2,(H3,13,14,15,16)
InChIKeyNDLZPDHTRXRPMG-UHFFFAOYSA-N
XLogP0.72
TPSA110.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.73
LogP ≤ 50.72
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]cyclobutyl]methanol?
The IUPAC name of [3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol (CID 134891728) is [3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
The canonical SMILES for [3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol is Nc1nc(Cl)c(N)c(NCC2CC(CO)C2)n1.
What is the InChIKey of [3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
The InChIKey is NDLZPDHTRXRPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O/c11-8-7(12)9(16-10(13)15-8)14-3-5-1-6(2-5)4-17/h5-6,17H,1-4,12H2,(H3,13,14,15,16).
What are the key properties of [3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
[3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol has a molecular weight of 257.73 g/mol, XLogP of 0.72, 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]cyclobutyl]methanol is sourced from PubChem (CID 134891728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).