N-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine

C12H20N4 — CID 80956947

IUPACN-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCNc1cc(N2CCCC2)nc(C(C)C)n1
InChIInChI=1S/C12H20N4/c1-9(2)12-14-10(13-3)8-11(15-12)16-6-4-5-7-16/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyHSZBAPQVGCTZEU-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.24
Rot. Bonds3

About N-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine

N-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 80956947) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID80956947
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCNc1cc(N2CCCC2)nc(C(C)C)n1
InChIInChI=1S/C12H20N4/c1-9(2)12-14-10(13-3)8-11(15-12)16-6-4-5-7-16/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyHSZBAPQVGCTZEU-UHFFFAOYSA-N
XLogP2.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4,4-dimethylazepan-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80960267
6-(4-cyclopropylpiperazin-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80962074
4-methyl-1-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidin-4-ol
CID 81107552
6-piperidin-1-yl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955496
6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955490
6-(3,5-dimethylpiperidin-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80956223
6-[4-(methoxymethyl)piperidin-1-yl]-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80959307
4-bromo-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidine
CID 112554790
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80956945
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81469827
ethane;N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 90766757
N,3-dimethyl-1-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322336

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 80956947) is N-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine is CNc1cc(N2CCCC2)nc(C(C)C)n1.
What is the InChIKey of N-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is HSZBAPQVGCTZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9(2)12-14-10(13-3)8-11(15-12)16-6-4-5-7-16/h8-9H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of N-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 80956947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).