4-[3-(methylamino)azetidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine

C12H21N5 — CID 44548366

IUPAC4-[3-(methylamino)azetidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCNC1CN(c2ccnc(NCC(C)C)n2)C1
InChIInChI=1S/C12H21N5/c1-9(2)6-15-12-14-5-4-11(16-12)17-7-10(8-17)13-3/h4-5,9-10,13H,6-8H2,1-3H3,(H,14,15,16)
InChIKeyQILLKGLBVJFOHN-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.95
Rot. Bonds5

About 4-[3-(methylamino)azetidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine

4-[3-(methylamino)azetidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 44548366) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[3-(methylamino)azetidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(methylamino)azetidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
PubChem CID44548366
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-[3-(methylamino)azetidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCNC1CN(c2ccnc(NCC(C)C)n2)C1
InChIInChI=1S/C12H21N5/c1-9(2)6-15-12-14-5-4-11(16-12)17-7-10(8-17)13-3/h4-5,9-10,13H,6-8H2,1-3H3,(H,14,15,16)
InChIKeyQILLKGLBVJFOHN-UHFFFAOYSA-N
XLogP0.95
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883334
tert-butyl N-[(3R)-1-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate
CID 67087344
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883380
4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883410
2-methyl-1-[[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 58227103
1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674543
2-[4-[3-(methylamino)azetidin-1-yl]pyrimidin-2-yl]acetaldehyde
CID 164539026
4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883419
2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 83695078
N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine
CID 80836906
N-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine
CID 80851519
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)azetidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-[3-(methylamino)azetidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine (CID 44548366) is 4-[3-(methylamino)azetidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(methylamino)azetidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-[3-(methylamino)azetidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine is CNC1CN(c2ccnc(NCC(C)C)n2)C1.
What is the InChIKey of 4-[3-(methylamino)azetidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is QILLKGLBVJFOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-9(2)6-15-12-14-5-4-11(16-12)17-7-10(8-17)13-3/h4-5,9-10,13H,6-8H2,1-3H3,(H,14,15,16).
What are the key properties of 4-[3-(methylamino)azetidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine?
4-[3-(methylamino)azetidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)azetidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 44548366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).