2-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

C12H19ClN4O — CID 80856601

IUPAC2-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCCNc1ncc(Cl)c(NCC2CCCC2O)n1
InChIInChI=1S/C12H19ClN4O/c1-2-14-12-16-7-9(13)11(17-12)15-6-8-4-3-5-10(8)18/h7-8,10,18H,2-6H2,1H3,(H2,14,15,16,17)
InChIKeyIHYPWICPGVDPJJ-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.13
Rot. Bonds5

About 2-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

2-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 80856601) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
PubChem CID80856601
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCCNc1ncc(Cl)c(NCC2CCCC2O)n1
InChIInChI=1S/C12H19ClN4O/c1-2-14-12-16-7-9(13)11(17-12)15-6-8-4-3-5-10(8)18/h7-8,10,18H,2-6H2,1H3,(H2,14,15,16,17)
InChIKeyIHYPWICPGVDPJJ-UHFFFAOYSA-N
XLogP2.13
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (CID 80856601) is 2-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is CCNc1ncc(Cl)c(NCC2CCCC2O)n1.
What is the InChIKey of 2-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is IHYPWICPGVDPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-2-14-12-16-7-9(13)11(17-12)15-6-8-4-3-5-10(8)18/h7-8,10,18H,2-6H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
2-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 270.76 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 80856601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).