4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

C15H21N5 — CID 80788386

IUPAC4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1N(C)Cc1cccnc1
InChIInChI=1S/C15H21N5/c1-4-6-13-14(16-2)18-11-19-15(13)20(3)10-12-7-5-8-17-9-12/h5,7-9,11H,4,6,10H2,1-3H3,(H,16,18,19)
InChIKeyMMNRZIDOLWSGCI-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.50
Rot. Bonds6

About 4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80788386) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80788386
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1N(C)Cc1cccnc1
InChIInChI=1S/C15H21N5/c1-4-6-13-14(16-2)18-11-19-15(13)20(3)10-12-7-5-8-17-9-12/h5,7-9,11H,4,6,10H2,1-3H3,(H,16,18,19)
InChIKeyMMNRZIDOLWSGCI-UHFFFAOYSA-N
XLogP2.50
TPSA53.94 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-N-methyl-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80906104
5-ethyl-6-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80906617
4-N,6-N-dimethyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80750839
4-N-ethyl-6-N-methyl-5-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80780699
4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine
CID 80799799
4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80793896
N-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine
CID 63735238
6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 63730091
1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 62432857
5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80780940
5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80779291
[2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61255832

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (CID 80788386) is 4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is CCCc1c(NC)ncnc1N(C)Cc1cccnc1.
What is the InChIKey of 4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is MMNRZIDOLWSGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-6-13-14(16-2)18-11-19-15(13)20(3)10-12-7-5-8-17-9-12/h5,7-9,11H,4,6,10H2,1-3H3,(H,16,18,19).
What are the key properties of 4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.50, 6 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-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80788386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).