2-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol

C20H21ClN4O2 — CID 42606407

IUPAC2-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol
SMILESCc1ccc(Cl)cc1-c1cc(Nc2cccc(C(CO)CO)c2)nc(N)n1
InChIInChI=1S/C20H21ClN4O2/c1-12-5-6-15(21)8-17(12)18-9-19(25-20(22)24-18)23-16-4-2-3-13(7-16)14(10-26)11-27/h2-9,14,26-27H,10-11H2,1H3,(H3,22,23,24,25)
InChIKeyMEIMJQZXQVFNNM-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.50
Rot. Bonds6

About 2-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol

2-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol (PubChem CID 42606407) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 2-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol
PubChem CID42606407
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name2-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol
SMILESCc1ccc(Cl)cc1-c1cc(Nc2cccc(C(CO)CO)c2)nc(N)n1
InChIInChI=1S/C20H21ClN4O2/c1-12-5-6-15(21)8-17(12)18-9-19(25-20(22)24-18)23-16-4-2-3-13(7-16)14(10-26)11-27/h2-9,14,26-27H,10-11H2,1H3,(H3,22,23,24,25)
InChIKeyMEIMJQZXQVFNNM-UHFFFAOYSA-N
XLogP3.50
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol with MolForge

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Related Compounds

6-(2,5-dichlorophenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11313962
2-[4-[[2-amino-6-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol
CID 11406086
N-[1-[4-[[2-amino-6-(2,5-dichlorophenyl)pyrimidin-4-yl]amino]phenyl]ethylidene]hydroxylamine
CID 74818738
4-(5-chloro-2-methylphenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine
CID 158483870
4-N-(4-chlorophenyl)-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-2,4-diamine
CID 59788248
[3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]methanol;hydrochloride
CID 54604691
2-(2-amino-6-anilinopyrimidin-4-yl)-4-(2-fluoro-4-methylanilino)phenol
CID 142680330
6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112878014
4-(5-chloro-2-methylphenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine
CID 158483873
1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 90189569
4-N-(3-fluoro-4-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112726031
6-N-(3-chlorophenyl)-4-methylpyridazine-3,6-diamine
CID 1493816

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol?
The IUPAC name of 2-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol (CID 42606407) is 2-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol.
What is the SMILES notation for 2-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol?
The canonical SMILES for 2-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol is Cc1ccc(Cl)cc1-c1cc(Nc2cccc(C(CO)CO)c2)nc(N)n1.
What is the InChIKey of 2-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol?
The InChIKey is MEIMJQZXQVFNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-12-5-6-15(21)8-17(12)18-9-19(25-20(22)24-18)23-16-4-2-3-13(7-16)14(10-26)11-27/h2-9,14,26-27H,10-11H2,1H3,(H3,22,23,24,25).
What are the key properties of 2-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol?
2-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol has a molecular weight of 384.87 g/mol, XLogP of 3.50, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol is sourced from PubChem (CID 42606407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).