3-[[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

C11H17ClN4O — CID 114146012

IUPAC3-[[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCc1nc(Cl)nc(NCC2CCC(O)C2)c1N
InChIInChI=1S/C11H17ClN4O/c1-6-9(13)10(16-11(12)15-6)14-5-7-2-3-8(17)4-7/h7-8,17H,2-5,13H2,1H3,(H,14,15,16)
InChIKeyDELKDZLNHHKDPV-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.59
Rot. Bonds3

About 3-[[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

3-[[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 114146012) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 3-[[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID114146012
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name3-[[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCc1nc(Cl)nc(NCC2CCC(O)C2)c1N
InChIInChI=1S/C11H17ClN4O/c1-6-9(13)10(16-11(12)15-6)14-5-7-2-3-8(17)4-7/h7-8,17H,2-5,13H2,1H3,(H,14,15,16)
InChIKeyDELKDZLNHHKDPV-UHFFFAOYSA-N
XLogP1.59
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(5-amino-2-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106119588
2-chloro-6-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine
CID 114044015
2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine
CID 7147197
3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106137926
3-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106138103
3-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 114148518
2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 106137549
3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106137194
3-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106138684
3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclopentan-1-ol
CID 103207403
3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 106137226
3-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138483

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (CID 114146012) is 3-[[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is Cc1nc(Cl)nc(NCC2CCC(O)C2)c1N.
What is the InChIKey of 3-[[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is DELKDZLNHHKDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-6-9(13)10(16-11(12)15-6)14-5-7-2-3-8(17)4-7/h7-8,17H,2-5,13H2,1H3,(H,14,15,16).
What are the key properties of 3-[[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
3-[[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 256.74 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114146012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).