6-methyl-4-N-(4-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

C20H23N5 — CID 112919941

IUPAC6-methyl-4-N-(4-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(C(C)C)cc2)nc(NCc2ccncc2)n1
InChIInChI=1S/C20H23N5/c1-14(2)17-4-6-18(7-5-17)24-19-12-15(3)23-20(25-19)22-13-16-8-10-21-11-9-16/h4-12,14H,13H2,1-3H3,(H2,22,23,24,25)
InChIKeyMELZECVJOPFJKC-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.66
Rot. Bonds6

About 6-methyl-4-N-(4-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

6-methyl-4-N-(4-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112919941) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 6-methyl-4-N-(4-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(4-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112919941
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name6-methyl-4-N-(4-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(C(C)C)cc2)nc(NCc2ccncc2)n1
InChIInChI=1S/C20H23N5/c1-14(2)17-4-6-18(7-5-17)24-19-12-15(3)23-20(25-19)22-13-16-8-10-21-11-9-16/h4-12,14H,13H2,1-3H3,(H2,22,23,24,25)
InChIKeyMELZECVJOPFJKC-UHFFFAOYSA-N
XLogP4.66
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-bromophenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919960
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919933
4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919972
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112920002
4-N-(4-chloro-2-methylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919954
6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916486
4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919930
6-methyl-2-N-(4-propan-2-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919161
6-methyl-2-N-(pyridin-3-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112919664
4-N-(4-fluorophenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918608
4-N-(3,4-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917730
4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917733

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(4-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(4-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (CID 112919941) is 6-methyl-4-N-(4-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(4-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(4-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is Cc1cc(Nc2ccc(C(C)C)cc2)nc(NCc2ccncc2)n1.
What is the InChIKey of 6-methyl-4-N-(4-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is MELZECVJOPFJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-14(2)17-4-6-18(7-5-17)24-19-12-15(3)23-20(25-19)22-13-16-8-10-21-11-9-16/h4-12,14H,13H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 6-methyl-4-N-(4-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
6-methyl-4-N-(4-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 333.44 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(4-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112919941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).