(2R)-4-[(2-amino-6-chloro-5-phenylpyrimidin-4-yl)amino]-2-ethylpentan-1-ol

C17H23ClN4O — CID 88872287

IUPAC(2R)-4-[(2-amino-6-chloro-5-phenylpyrimidin-4-yl)amino]-2-ethylpentan-1-ol
SMILESCC[C@@H](CO)CC(C)Nc1nc(N)nc(Cl)c1-c1ccccc1
InChIInChI=1S/C17H23ClN4O/c1-3-12(10-23)9-11(2)20-16-14(13-7-5-4-6-8-13)15(18)21-17(19)22-16/h4-8,11-12,23H,3,9-10H2,1-2H3,(H3,19,20,21,22)/t11?,12-/m1/s1
InChIKeyJTZSDWZUQDAJJT-PIJUOVFKSA-N
MW334.85 g/mol
LogP3.59
Rot. Bonds7

About (2R)-4-[(2-amino-6-chloro-5-phenylpyrimidin-4-yl)amino]-2-ethylpentan-1-ol

(2R)-4-[(2-amino-6-chloro-5-phenylpyrimidin-4-yl)amino]-2-ethylpentan-1-ol (PubChem CID 88872287) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is (2R)-4-[(2-amino-6-chloro-5-phenylpyrimidin-4-yl)amino]-2-ethylpentan-1-ol.

Molecular Properties

Compound Name(2R)-4-[(2-amino-6-chloro-5-phenylpyrimidin-4-yl)amino]-2-ethylpentan-1-ol
PubChem CID88872287
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name(2R)-4-[(2-amino-6-chloro-5-phenylpyrimidin-4-yl)amino]-2-ethylpentan-1-ol
SMILESCC[C@@H](CO)CC(C)Nc1nc(N)nc(Cl)c1-c1ccccc1
InChIInChI=1S/C17H23ClN4O/c1-3-12(10-23)9-11(2)20-16-14(13-7-5-4-6-8-13)15(18)21-17(19)22-16/h4-8,11-12,23H,3,9-10H2,1-2H3,(H3,19,20,21,22)/t11?,12-/m1/s1
InChIKeyJTZSDWZUQDAJJT-PIJUOVFKSA-N
XLogP3.59
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2-amino-6-chloro-5-phenylpyrimidin-4-yl)amino]-2-ethylpentan-1-ol?
The IUPAC name of (2R)-4-[(2-amino-6-chloro-5-phenylpyrimidin-4-yl)amino]-2-ethylpentan-1-ol (CID 88872287) is (2R)-4-[(2-amino-6-chloro-5-phenylpyrimidin-4-yl)amino]-2-ethylpentan-1-ol.
What is the SMILES notation for (2R)-4-[(2-amino-6-chloro-5-phenylpyrimidin-4-yl)amino]-2-ethylpentan-1-ol?
The canonical SMILES for (2R)-4-[(2-amino-6-chloro-5-phenylpyrimidin-4-yl)amino]-2-ethylpentan-1-ol is CC[C@@H](CO)CC(C)Nc1nc(N)nc(Cl)c1-c1ccccc1.
What is the InChIKey of (2R)-4-[(2-amino-6-chloro-5-phenylpyrimidin-4-yl)amino]-2-ethylpentan-1-ol?
The InChIKey is JTZSDWZUQDAJJT-PIJUOVFKSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-3-12(10-23)9-11(2)20-16-14(13-7-5-4-6-8-13)15(18)21-17(19)22-16/h4-8,11-12,23H,3,9-10H2,1-2H3,(H3,19,20,21,22)/t11?,12-/m1/s1.
What are the key properties of (2R)-4-[(2-amino-6-chloro-5-phenylpyrimidin-4-yl)amino]-2-ethylpentan-1-ol?
(2R)-4-[(2-amino-6-chloro-5-phenylpyrimidin-4-yl)amino]-2-ethylpentan-1-ol has a molecular weight of 334.85 g/mol, XLogP of 3.59, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2-amino-6-chloro-5-phenylpyrimidin-4-yl)amino]-2-ethylpentan-1-ol is sourced from PubChem (CID 88872287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).