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

C12H20N4 — CID 80982123

IUPAC5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1N1CCCC1
InChIInChI=1S/C12H20N4/c1-8(2)11-14-10(13)9(3)12(15-11)16-6-4-5-7-16/h8H,4-7H2,1-3H3,(H2,13,14,15)
InChIKeyMZJZHYNHGVNFEF-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.09
Rot. Bonds2

About 5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine

5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 80982123) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID80982123
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1N1CCCC1
InChIInChI=1S/C12H20N4/c1-8(2)11-14-10(13)9(3)12(15-11)16-6-4-5-7-16/h8H,4-7H2,1-3H3,(H2,13,14,15)
InChIKeyMZJZHYNHGVNFEF-UHFFFAOYSA-N
XLogP2.09
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-amine
CID 80983579
5-methyl-2-propan-2-yl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 80986492
6-(4-tert-butylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80984837
[1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 80993933
1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106674605
4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine
CID 80970489
6-[3-(methoxymethyl)piperidin-1-yl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 106590122
N-ethyl-5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80981685
5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80982944
1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198708
6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 83223748
5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80767389

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 80982123) is 5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1N1CCCC1.
What is the InChIKey of 5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is MZJZHYNHGVNFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-8(2)11-14-10(13)9(3)12(15-11)16-6-4-5-7-16/h8H,4-7H2,1-3H3,(H2,13,14,15).
What are the key properties of 5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine?
5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 80982123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).