4-N,6-N-dimethyl-5-propan-2-yl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

C15H21N5 — CID 80787539

IUPAC4-N,6-N-dimethyl-5-propan-2-yl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(N(C)Cc2ccncc2)c1C(C)C
InChIInChI=1S/C15H21N5/c1-11(2)13-14(16-3)18-10-19-15(13)20(4)9-12-5-7-17-8-6-12/h5-8,10-11H,9H2,1-4H3,(H,16,18,19)
InChIKeySTRNFCLZBBEMJV-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.67
Rot. Bonds5

About 4-N,6-N-dimethyl-5-propan-2-yl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

4-N,6-N-dimethyl-5-propan-2-yl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80787539) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-5-propan-2-yl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-5-propan-2-yl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80787539
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-N,6-N-dimethyl-5-propan-2-yl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(N(C)Cc2ccncc2)c1C(C)C
InChIInChI=1S/C15H21N5/c1-11(2)13-14(16-3)18-10-19-15(13)20(4)9-12-5-7-17-8-6-12/h5-8,10-11H,9H2,1-4H3,(H,16,18,19)
InChIKeySTRNFCLZBBEMJV-UHFFFAOYSA-N
XLogP2.67
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(4-fluorophenyl)methyl]-4-N,6-N-dimethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80776961
5-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-1-ol
CID 107207555
N-methyl-3-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide
CID 106918543
4-N,6-N-dimethyl-4-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796274
4-N-ethyl-6-N-methyl-5-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80780699
4-N-(furan-2-ylmethyl)-4-N-methyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80774779
4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80793896
4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777408
6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 63730306
6-N-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80837463
4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80788386
6-hydrazinyl-N-methyl-N-(2-phenylethyl)-5-propan-2-ylpyrimidin-4-amine
CID 80924181

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-5-propan-2-yl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dimethyl-5-propan-2-yl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (CID 80787539) is 4-N,6-N-dimethyl-5-propan-2-yl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dimethyl-5-propan-2-yl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dimethyl-5-propan-2-yl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is CNc1ncnc(N(C)Cc2ccncc2)c1C(C)C.
What is the InChIKey of 4-N,6-N-dimethyl-5-propan-2-yl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is STRNFCLZBBEMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11(2)13-14(16-3)18-10-19-15(13)20(4)9-12-5-7-17-8-6-12/h5-8,10-11H,9H2,1-4H3,(H,16,18,19).
What are the key properties of 4-N,6-N-dimethyl-5-propan-2-yl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
4-N,6-N-dimethyl-5-propan-2-yl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-5-propan-2-yl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80787539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).