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

C12H21N5 — CID 80983579

IUPAC5-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1N1CCNCC1
InChIInChI=1S/C12H21N5/c1-8(2)11-15-10(13)9(3)12(16-11)17-6-4-14-5-7-17/h8,14H,4-7H2,1-3H3,(H2,13,15,16)
InChIKeyBZVMRKGVDSGJHF-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.90
Rot. Bonds2

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

5-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80983579) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80983579
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name5-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1N1CCNCC1
InChIInChI=1S/C12H21N5/c1-8(2)11-15-10(13)9(3)12(16-11)17-6-4-14-5-7-17/h8,14H,4-7H2,1-3H3,(H2,13,15,16)
InChIKeyBZVMRKGVDSGJHF-UHFFFAOYSA-N
XLogP0.90
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80982123
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)pyrrolidine-3,4-diol
CID 106674605
[1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 80993933
6-[3-(methoxymethyl)piperidin-1-yl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 106590122
4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine
CID 80970489
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
3-methyl-4-piperazin-1-yl-1,2,5-oxadiazole;hydrochloride
CID 75530610
5,6-dimethyl-4-piperazin-1-ylpyridin-2-amine
CID 175106562
5-piperazin-1-yl-2-propan-2-ylpyrimidine
CID 84674611

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-amine (CID 80983579) is 5-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1N1CCNCC1.
What is the InChIKey of 5-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is BZVMRKGVDSGJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-8(2)11-15-10(13)9(3)12(16-11)17-6-4-14-5-7-17/h8,14H,4-7H2,1-3H3,(H2,13,15,16).
What are the key properties of 5-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-amine?
5-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80983579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).