N-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine

C12H20N4 — CID 112883142

IUPACN-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCC(C)CNc1ccnc(N2CCCC2)n1
InChIInChI=1S/C12H20N4/c1-10(2)9-14-11-5-6-13-12(15-11)16-7-3-4-8-16/h5-6,10H,3-4,7-9H2,1-2H3,(H,13,14,15)
InChIKeyZLBVRSBHRAPGOI-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.14
Rot. Bonds4

About N-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine

N-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112883142) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112883142
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCC(C)CNc1ccnc(N2CCCC2)n1
InChIInChI=1S/C12H20N4/c1-10(2)9-14-11-5-6-13-12(15-11)16-7-3-4-8-16/h5-6,10H,3-4,7-9H2,1-2H3,(H,13,14,15)
InChIKeyZLBVRSBHRAPGOI-UHFFFAOYSA-N
XLogP2.14
TPSA41.05 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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884684
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyrimidin-4-amine
CID 112883178
ethyl 4-[4-(2-methylpropylamino)pyrimidin-2-yl]piperazine-1-carboxylate
CID 112883198
4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883290
2-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112884645
2-(azepan-1-yl)-N-benzylpyrimidin-4-amine
CID 112889457
N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883334
N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112933703
3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid
CID 122048200
2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine
CID 121204945
4-(2-methylpropylamino)pyrimidin-2-olate
CID 171083586
2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 112894924

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 112883142) is N-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine is CC(C)CNc1ccnc(N2CCCC2)n1.
What is the InChIKey of N-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is ZLBVRSBHRAPGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10(2)9-14-11-5-6-13-12(15-11)16-7-3-4-8-16/h5-6,10H,3-4,7-9H2,1-2H3,(H,13,14,15).
What are the key properties of N-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine?
N-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112883142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).