4-N,6-N-dimethyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine

C16H23N5 — CID 80750839

IUPAC4-N,6-N-dimethyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1N(C)CCc1ccccn1
InChIInChI=1S/C16H23N5/c1-4-7-14-15(17-2)19-12-20-16(14)21(3)11-9-13-8-5-6-10-18-13/h5-6,8,10,12H,4,7,9,11H2,1-3H3,(H,17,19,20)
InChIKeyKMHUNIYMJHUTGW-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.54
Rot. Bonds7

About 4-N,6-N-dimethyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine

4-N,6-N-dimethyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80750839) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
PubChem CID80750839
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-N,6-N-dimethyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1N(C)CCc1ccccn1
InChIInChI=1S/C16H23N5/c1-4-7-14-15(17-2)19-12-20-16(14)21(3)11-9-13-8-5-6-10-18-13/h5-6,8,10,12H,4,7,9,11H2,1-3H3,(H,17,19,20)
InChIKeyKMHUNIYMJHUTGW-UHFFFAOYSA-N
XLogP2.54
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N,6-N-dimethyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N-methyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80766055
4-N,6-N,2,5-tetramethyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80766493
6-hydrazinyl-N-methyl-5-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80911233
4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80788386
4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine
CID 80799799
6-hydrazinyl-N-methyl-5-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80929501
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
4-N-ethyl-6-N-methyl-5-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80780699
4-N,5-dimethyl-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80750116
N-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62418035
4-N-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 50983388
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dimethyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine (CID 80750839) is 4-N,6-N-dimethyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dimethyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dimethyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine is CCCc1c(NC)ncnc1N(C)CCc1ccccn1.
What is the InChIKey of 4-N,6-N-dimethyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is KMHUNIYMJHUTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-4-7-14-15(17-2)19-12-20-16(14)21(3)11-9-13-8-5-6-10-18-13/h5-6,8,10,12H,4,7,9,11H2,1-3H3,(H,17,19,20).
What are the key properties of 4-N,6-N-dimethyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
4-N,6-N-dimethyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 285.39 g/mol, XLogP of 2.54, 7 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-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80750839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).