4-N-(3-chlorophenyl)-6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine

C16H21ClN6 — CID 90846608

IUPAC4-N-(3-chlorophenyl)-6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
SMILESCCN[C@@H]1CCN(c2cc(Nc3cccc(Cl)c3)nc(N)n2)C1
InChIInChI=1S/C16H21ClN6/c1-2-19-13-6-7-23(10-13)15-9-14(21-16(18)22-15)20-12-5-3-4-11(17)8-12/h3-5,8-9,13,19H,2,6-7,10H2,1H3,(H3,18,20,21,22)/t13-/m1/s1
InChIKeyHQWKYAJRIXKJEE-CYBMUJFWSA-N
MW332.84 g/mol
LogP2.64
Rot. Bonds5

About 4-N-(3-chlorophenyl)-6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine

4-N-(3-chlorophenyl)-6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine (PubChem CID 90846608) has the molecular formula C16H21ClN6 and a molecular weight of 332.84 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
PubChem CID90846608
Molecular FormulaC16H21ClN6
Molecular Weight332.84 g/mol
Exact Mass332.15
IUPAC Name4-N-(3-chlorophenyl)-6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
SMILESCCN[C@@H]1CCN(c2cc(Nc3cccc(Cl)c3)nc(N)n2)C1
InChIInChI=1S/C16H21ClN6/c1-2-19-13-6-7-23(10-13)15-9-14(21-16(18)22-15)20-12-5-3-4-11(17)8-12/h3-5,8-9,13,19H,2,6-7,10H2,1H3,(H3,18,20,21,22)/t13-/m1/s1
InChIKeyHQWKYAJRIXKJEE-CYBMUJFWSA-N
XLogP2.64
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3-ethylphenyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 91131494
4-N-(2,3-dimethylphenyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 90716081
N-(3-chlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868516
6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 69028705
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylcyclopropyl)pyrimidine-2,4-diamine
CID 24745834
N-(3-chlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869918
4-N-(cyclopropylmethyl)-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 91003699
4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;hydrochloride
CID 162341551
methyl 2-[[1-[6-(3-chloroanilino)pyrimidin-4-yl]piperidin-4-yl]amino]acetate
CID 70207493
4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 141402801
N-(3-chlorophenyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875542
4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 122491269

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine (CID 90846608) is 4-N-(3-chlorophenyl)-6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine is CCN[C@@H]1CCN(c2cc(Nc3cccc(Cl)c3)nc(N)n2)C1.
What is the InChIKey of 4-N-(3-chlorophenyl)-6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is HQWKYAJRIXKJEE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21ClN6/c1-2-19-13-6-7-23(10-13)15-9-14(21-16(18)22-15)20-12-5-3-4-11(17)8-12/h3-5,8-9,13,19H,2,6-7,10H2,1H3,(H3,18,20,21,22)/t13-/m1/s1.
What are the key properties of 4-N-(3-chlorophenyl)-6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine?
4-N-(3-chlorophenyl)-6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 332.84 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 90846608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).