4-N-ethyl-6-N-methyl-5-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

C16H23N5 — CID 80780699

IUPAC4-N-ethyl-6-N-methyl-5-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1N(CC)Cc1ccncc1
InChIInChI=1S/C16H23N5/c1-4-6-14-15(17-3)19-12-20-16(14)21(5-2)11-13-7-9-18-10-8-13/h7-10,12H,4-6,11H2,1-3H3,(H,17,19,20)
InChIKeyUSVTVBHTQBDCLT-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.89
Rot. Bonds7

About 4-N-ethyl-6-N-methyl-5-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

4-N-ethyl-6-N-methyl-5-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80780699) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-N-ethyl-6-N-methyl-5-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-N-methyl-5-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80780699
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-N-ethyl-6-N-methyl-5-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1N(CC)Cc1ccncc1
InChIInChI=1S/C16H23N5/c1-4-6-14-15(17-3)19-12-20-16(14)21(5-2)11-13-7-9-18-10-8-13/h7-10,12H,4-6,11H2,1-3H3,(H,17,19,20)
InChIKeyUSVTVBHTQBDCLT-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-hydrazinyl-5-propyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80900573
4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80788386
4-N,6-N-dimethyl-5-propan-2-yl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80787539
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
6-N-methyl-4-N-propan-2-yl-5-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80780237
4-N,6-N-dimethyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80750839
4-N-ethyl-4-N-(pyridin-4-ylmethyl)quinazoline-4,6-diamine
CID 64587906
4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine
CID 80795100
4-N,6-N-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80809064
4-N-ethyl-2-N-methyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-diamine
CID 113367608
4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine
CID 80834161
N-ethyl-2-[ethyl-[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80804836

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-N-methyl-5-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-6-N-methyl-5-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (CID 80780699) is 4-N-ethyl-6-N-methyl-5-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-6-N-methyl-5-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-6-N-methyl-5-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is CCCc1c(NC)ncnc1N(CC)Cc1ccncc1.
What is the InChIKey of 4-N-ethyl-6-N-methyl-5-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is USVTVBHTQBDCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-4-6-14-15(17-3)19-12-20-16(14)21(5-2)11-13-7-9-18-10-8-13/h7-10,12H,4-6,11H2,1-3H3,(H,17,19,20).
What are the key properties of 4-N-ethyl-6-N-methyl-5-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
4-N-ethyl-6-N-methyl-5-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 285.39 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-N-methyl-5-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80780699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).