2-[[cyclopropylmethyl(propyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine

C16H28N4 — CID 80657938

IUPAC2-[[cyclopropylmethyl(propyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(CN(CCC)CC2CC2)n1
InChIInChI=1S/C16H28N4/c1-4-8-17-15-10-13(3)18-16(19-15)12-20(9-5-2)11-14-6-7-14/h10,14H,4-9,11-12H2,1-3H3,(H,17,18,19)
InChIKeyUCMGRGSWAVUVRV-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.23
Rot. Bonds9

About 2-[[cyclopropylmethyl(propyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine

2-[[cyclopropylmethyl(propyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 80657938) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(propyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(propyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine
PubChem CID80657938
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-[[cyclopropylmethyl(propyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(CN(CCC)CC2CC2)n1
InChIInChI=1S/C16H28N4/c1-4-8-17-15-10-13(3)18-16(19-15)12-20(9-5-2)11-14-6-7-14/h10,14H,4-9,11-12H2,1-3H3,(H,17,18,19)
InChIKeyUCMGRGSWAVUVRV-UHFFFAOYSA-N
XLogP3.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine
CID 80657528
2-[cyclopropyl-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]amino]ethanol
CID 80658050
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
6-methyl-2-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyrimidin-4-amine
CID 80657535
2-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658060
2-[[2-methoxyethyl(methyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80657360
N-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine
CID 80655474
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine
CID 80663537
2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol
CID 80658221
N-(cyclopropylmethyl)-N-[(2-hydrazinyl-4-pyridinyl)methyl]propan-1-amine
CID 62472414
N,6-dimethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyrimidin-4-amine
CID 80657069
N-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 783025

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(propyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[[cyclopropylmethyl(propyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine (CID 80657938) is 2-[[cyclopropylmethyl(propyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[[cyclopropylmethyl(propyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[[cyclopropylmethyl(propyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(CN(CCC)CC2CC2)n1.
What is the InChIKey of 2-[[cyclopropylmethyl(propyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is UCMGRGSWAVUVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-8-17-15-10-13(3)18-16(19-15)12-20(9-5-2)11-14-6-7-14/h10,14H,4-9,11-12H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[[cyclopropylmethyl(propyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine?
2-[[cyclopropylmethyl(propyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(propyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80657938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).