[(1R,3S)-3-[[2-amino-6-chloro-5-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]cyclopentyl]methanol

C16H20ClN5O2 — CID 88566342

IUPAC[(1R,3S)-3-[[2-amino-6-chloro-5-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESCOc1ccc(-c2c(Cl)nc(N)nc2N[C@H]2CC[C@@H](CO)C2)cn1
InChIInChI=1S/C16H20ClN5O2/c1-24-12-5-3-10(7-19-12)13-14(17)21-16(18)22-15(13)20-11-4-2-9(6-11)8-23/h3,5,7,9,11,23H,2,4,6,8H2,1H3,(H3,18,20,21,22)/t9-,11+/m1/s1
InChIKeyMCJWBMRXFFAWAU-KOLCDFICSA-N
MW349.82 g/mol
LogP2.36
Rot. Bonds5

About [(1R,3S)-3-[[2-amino-6-chloro-5-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]cyclopentyl]methanol

[(1R,3S)-3-[[2-amino-6-chloro-5-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]cyclopentyl]methanol (PubChem CID 88566342) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is [(1R,3S)-3-[[2-amino-6-chloro-5-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-3-[[2-amino-6-chloro-5-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
PubChem CID88566342
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name[(1R,3S)-3-[[2-amino-6-chloro-5-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESCOc1ccc(-c2c(Cl)nc(N)nc2N[C@H]2CC[C@@H](CO)C2)cn1
InChIInChI=1S/C16H20ClN5O2/c1-24-12-5-3-10(7-19-12)13-14(17)21-16(18)22-15(13)20-11-4-2-9(6-11)8-23/h3,5,7,9,11,23H,2,4,6,8H2,1H3,(H3,18,20,21,22)/t9-,11+/m1/s1
InChIKeyMCJWBMRXFFAWAU-KOLCDFICSA-N
XLogP2.36
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[[2-amino-6-chloro-5-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The IUPAC name of [(1R,3S)-3-[[2-amino-6-chloro-5-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]cyclopentyl]methanol (CID 88566342) is [(1R,3S)-3-[[2-amino-6-chloro-5-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [(1R,3S)-3-[[2-amino-6-chloro-5-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [(1R,3S)-3-[[2-amino-6-chloro-5-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]cyclopentyl]methanol is COc1ccc(-c2c(Cl)nc(N)nc2N[C@H]2CC[C@@H](CO)C2)cn1.
What is the InChIKey of [(1R,3S)-3-[[2-amino-6-chloro-5-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The InChIKey is MCJWBMRXFFAWAU-KOLCDFICSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-24-12-5-3-10(7-19-12)13-14(17)21-16(18)22-15(13)20-11-4-2-9(6-11)8-23/h3,5,7,9,11,23H,2,4,6,8H2,1H3,(H3,18,20,21,22)/t9-,11+/m1/s1.
What are the key properties of [(1R,3S)-3-[[2-amino-6-chloro-5-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]cyclopentyl]methanol?
[(1R,3S)-3-[[2-amino-6-chloro-5-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]cyclopentyl]methanol has a molecular weight of 349.82 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[[2-amino-6-chloro-5-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 88566342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).