6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine

C15H21N5 — CID 112857443

IUPAC6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccccc1Nc1cc(NCCN(C)C)ncn1
InChIInChI=1S/C15H21N5/c1-12-6-4-5-7-13(12)19-15-10-14(17-11-18-15)16-8-9-20(2)3/h4-7,10-11H,8-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyPPGHUMSXGNBHIL-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.50
Rot. Bonds6

About 6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine

6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 112857443) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
PubChem CID112857443
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccccc1Nc1cc(NCCN(C)C)ncn1
InChIInChI=1S/C15H21N5/c1-12-6-4-5-7-13(12)19-15-10-14(17-11-18-15)16-8-9-20(2)3/h4-7,10-11H,8-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyPPGHUMSXGNBHIL-UHFFFAOYSA-N
XLogP2.50
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857450
4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80755281
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
6-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 112857813
4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 112857539
4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 112857465
N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 61225693
2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935950
4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 80770931
6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857798
6-N-[2-(dimethylamino)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112857378
6-N-[3-(dimethylamino)propyl]-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112857808

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine (CID 112857443) is 6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine is Cc1ccccc1Nc1cc(NCCN(C)C)ncn1.
What is the InChIKey of 6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is PPGHUMSXGNBHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-12-6-4-5-7-13(12)19-15-10-14(17-11-18-15)16-8-9-20(2)3/h4-7,10-11H,8-9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112857443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).