1-(2-pyrrolidin-1-ylpyrimidin-4-yl)butan-2-amine

C12H20N4 — CID 62745750

IUPAC1-(2-pyrrolidin-1-ylpyrimidin-4-yl)butan-2-amine
SMILESCCC(N)Cc1ccnc(N2CCCC2)n1
InChIInChI=1S/C12H20N4/c1-2-10(13)9-11-5-6-14-12(15-11)16-7-3-4-8-16/h5-6,10H,2-4,7-9,13H2,1H3
InChIKeyAPFZUOJMNKXMMU-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.36
Rot. Bonds4

About 1-(2-pyrrolidin-1-ylpyrimidin-4-yl)butan-2-amine

1-(2-pyrrolidin-1-ylpyrimidin-4-yl)butan-2-amine (PubChem CID 62745750) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylpyrimidin-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylpyrimidin-4-yl)butan-2-amine
PubChem CID62745750
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-(2-pyrrolidin-1-ylpyrimidin-4-yl)butan-2-amine
SMILESCCC(N)Cc1ccnc(N2CCCC2)n1
InChIInChI=1S/C12H20N4/c1-2-10(13)9-11-5-6-14-12(15-11)16-7-3-4-8-16/h5-6,10H,2-4,7-9,13H2,1H3
InChIKeyAPFZUOJMNKXMMU-UHFFFAOYSA-N
XLogP1.36
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butan-2-amine
CID 55114152
1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine
CID 62745059
1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butan-2-amine
CID 62757918
[2-(azepan-1-yl)pyrimidin-4-yl]methanol
CID 62749376
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 62747924
1-(2-butan-2-ylpyrimidin-4-yl)butan-2-amine
CID 63717252
1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine
CID 62744170
1-(2-piperidin-1-ylpyrimidin-4-yl)propan-2-one
CID 83888888
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122353047
4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 59525896
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)propan-1-one
CID 174680127
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylpyrimidin-4-yl)butan-2-amine?
The IUPAC name of 1-(2-pyrrolidin-1-ylpyrimidin-4-yl)butan-2-amine (CID 62745750) is 1-(2-pyrrolidin-1-ylpyrimidin-4-yl)butan-2-amine.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylpyrimidin-4-yl)butan-2-amine?
The canonical SMILES for 1-(2-pyrrolidin-1-ylpyrimidin-4-yl)butan-2-amine is CCC(N)Cc1ccnc(N2CCCC2)n1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylpyrimidin-4-yl)butan-2-amine?
The InChIKey is APFZUOJMNKXMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-10(13)9-11-5-6-14-12(15-11)16-7-3-4-8-16/h5-6,10H,2-4,7-9,13H2,1H3.
What are the key properties of 1-(2-pyrrolidin-1-ylpyrimidin-4-yl)butan-2-amine?
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)butan-2-amine has a molecular weight of 220.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylpyrimidin-4-yl)butan-2-amine is sourced from PubChem (CID 62745750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).