2-methyl-N-[[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-2-amine

C16H28N4 — CID 62592858

IUPAC2-methyl-N-[[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCCCc1cc(N2CCCC2CNC(C)(C)C)ncn1
InChIInChI=1S/C16H28N4/c1-5-7-13-10-15(18-12-17-13)20-9-6-8-14(20)11-19-16(2,3)4/h10,12,14,19H,5-9,11H2,1-4H3
InChIKeyQJXFEYHWZAKZLY-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.79
Rot. Bonds5

About 2-methyl-N-[[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-2-amine

2-methyl-N-[[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-2-amine (PubChem CID 62592858) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-methyl-N-[[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-2-amine
PubChem CID62592858
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-methyl-N-[[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCCCc1cc(N2CCCC2CNC(C)(C)C)ncn1
InChIInChI=1S/C16H28N4/c1-5-7-13-10-15(18-12-17-13)20-9-6-8-14(20)11-19-16(2,3)4/h10,12,14,19H,5-9,11H2,1-4H3
InChIKeyQJXFEYHWZAKZLY-UHFFFAOYSA-N
XLogP2.79
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine
CID 62587059
[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 61409380
N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62591990
N-[[4-(6-propylpyrimidin-4-yl)morpholin-3-yl]methyl]ethanamine
CID 83105610
2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 61240133
N-[[4-(6-propylpyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83104201
N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 55091054
N-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 62592327
N-[[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62592513
N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80798245
N-methyl-1-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63854574
[4-methyl-1-(6-propylpyrimidin-4-yl)piperazin-2-yl]methanamine
CID 80506382

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-2-amine (CID 62592858) is 2-methyl-N-[[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-2-amine is CCCc1cc(N2CCCC2CNC(C)(C)C)ncn1.
What is the InChIKey of 2-methyl-N-[[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
The InChIKey is QJXFEYHWZAKZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-7-13-10-15(18-12-17-13)20-9-6-8-14(20)11-19-16(2,3)4/h10,12,14,19H,5-9,11H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62592858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).