2-methyl-N-propyl-1-pyrimidin-5-yl-2-pyrrolidin-1-ylpropan-1-amine

C15H26N4 — CID 79045060

IUPAC2-methyl-N-propyl-1-pyrimidin-5-yl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCCCNC(c1cncnc1)C(C)(C)N1CCCC1
InChIInChI=1S/C15H26N4/c1-4-7-18-14(13-10-16-12-17-11-13)15(2,3)19-8-5-6-9-19/h10-12,14,18H,4-9H2,1-3H3
InChIKeyDEERYJPBWOUVQA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.39
Rot. Bonds6

About 2-methyl-N-propyl-1-pyrimidin-5-yl-2-pyrrolidin-1-ylpropan-1-amine

2-methyl-N-propyl-1-pyrimidin-5-yl-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 79045060) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-N-propyl-1-pyrimidin-5-yl-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-1-pyrimidin-5-yl-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID79045060
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-methyl-N-propyl-1-pyrimidin-5-yl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCCCNC(c1cncnc1)C(C)(C)N1CCCC1
InChIInChI=1S/C15H26N4/c1-4-7-18-14(13-10-16-12-17-11-13)15(2,3)19-8-5-6-9-19/h10-12,14,18H,4-9H2,1-3H3
InChIKeyDEERYJPBWOUVQA-UHFFFAOYSA-N
XLogP2.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-1-pyrimidin-5-yl-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-propyl-1-pyrimidin-5-yl-2-pyrrolidin-1-ylpropan-1-amine (CID 79045060) is 2-methyl-N-propyl-1-pyrimidin-5-yl-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-propyl-1-pyrimidin-5-yl-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-propyl-1-pyrimidin-5-yl-2-pyrrolidin-1-ylpropan-1-amine is CCCNC(c1cncnc1)C(C)(C)N1CCCC1.
What is the InChIKey of 2-methyl-N-propyl-1-pyrimidin-5-yl-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is DEERYJPBWOUVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-7-18-14(13-10-16-12-17-11-13)15(2,3)19-8-5-6-9-19/h10-12,14,18H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-propyl-1-pyrimidin-5-yl-2-pyrrolidin-1-ylpropan-1-amine?
2-methyl-N-propyl-1-pyrimidin-5-yl-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-1-pyrimidin-5-yl-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 79045060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).