4-N-[(2-chlorophenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine

C16H19ClN4O — CID 126453900

IUPAC4-N-[(2-chlorophenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCN(Cc1ccccc1Cl)c1cc([C@@H]2CCOC2)nc(N)n1
InChIInChI=1S/C16H19ClN4O/c1-21(9-11-4-2-3-5-13(11)17)15-8-14(19-16(18)20-15)12-6-7-22-10-12/h2-5,8,12H,6-7,9-10H2,1H3,(H2,18,19,20)/t12-/m1/s1
InChIKeyLKUBKAVJNSSOEW-GFCCVEGCSA-N
MW318.81 g/mol
LogP2.85
Rot. Bonds4

About 4-N-[(2-chlorophenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine

4-N-[(2-chlorophenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine (PubChem CID 126453900) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
PubChem CID126453900
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name4-N-[(2-chlorophenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCN(Cc1ccccc1Cl)c1cc([C@@H]2CCOC2)nc(N)n1
InChIInChI=1S/C16H19ClN4O/c1-21(9-11-4-2-3-5-13(11)17)15-8-14(19-16(18)20-15)12-6-7-22-10-12/h2-5,8,12H,6-7,9-10H2,1H3,(H2,18,19,20)/t12-/m1/s1
InChIKeyLKUBKAVJNSSOEW-GFCCVEGCSA-N
XLogP2.85
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126423761
4-N-[(5-chloro-2-methoxyphenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126452160
4-N-(2-aminoethyl)-4-N-methyl-6-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 53378714
4-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126431641
6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 31537704
4-N-benzyl-4-N-[2-(dimethylamino)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126443450
4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 126431503
4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80898733
4-N-methyl-6-(oxolan-3-yl)-4-N-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 119070495
4-N-methyl-6-[(3S)-oxolan-3-yl]-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 126430763
4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 125176371
4-N-butyl-6-[(3S)-oxolan-3-yl]-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 126424556

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine (CID 126453900) is 4-N-[(2-chlorophenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine is CN(Cc1ccccc1Cl)c1cc([C@@H]2CCOC2)nc(N)n1.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is LKUBKAVJNSSOEW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-21(9-11-4-2-3-5-13(11)17)15-8-14(19-16(18)20-15)12-6-7-22-10-12/h2-5,8,12H,6-7,9-10H2,1H3,(H2,18,19,20)/t12-/m1/s1.
What are the key properties of 4-N-[(2-chlorophenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
4-N-[(2-chlorophenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 318.81 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-chlorophenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 126453900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).