molecular hydrogen;N-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-amine

C10H18N4 — CID 144655649

IUPACmolecular hydrogen;N-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-amine
SMILESCC(C)N1CC(Nc2ccncn2)C1.[H][H]
InChIInChI=1S/C10H16N4.H2/c1-8(2)14-5-9(6-14)13-10-3-4-11-7-12-10;/h3-4,7-9H,5-6H2,1-2H3,(H,11,12,13);1H
InChIKeyIVYSWAUKSBIXMN-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.23
Rot. Bonds3

About molecular hydrogen;N-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-amine

molecular hydrogen;N-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-amine (PubChem CID 144655649) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is molecular hydrogen;N-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Namemolecular hydrogen;N-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-amine
PubChem CID144655649
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Namemolecular hydrogen;N-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-amine
SMILESCC(C)N1CC(Nc2ccncn2)C1.[H][H]
InChIInChI=1S/C10H16N4.H2/c1-8(2)14-5-9(6-14)13-10-3-4-11-7-12-10;/h3-4,7-9H,5-6H2,1-2H3,(H,11,12,13);1H
InChIKeyIVYSWAUKSBIXMN-UHFFFAOYSA-N
XLogP1.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 61253592
N-(4-methoxycyclohexyl)pyrimidin-4-amine
CID 123137829
(4-methylsulfanylphenyl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone
CID 131703845
N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887336
N-(2-methylcyclopropyl)pyrimidin-4-amine
CID 62398968
6-fluoro-N-(1-propan-2-ylazetidin-3-yl)pyridin-2-amine
CID 130620537
N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-4-amine
CID 57208606
N-(thiolan-3-yl)pyrimidin-4-amine
CID 103063402
N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 144655106
3-phenyl-1-[3-(pyrimidin-4-ylamino)azetidin-1-yl]propan-1-one
CID 166315716
N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine
CID 97120157
N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
CID 79362243

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-amine?
The IUPAC name of molecular hydrogen;N-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-amine (CID 144655649) is molecular hydrogen;N-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for molecular hydrogen;N-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-amine?
The canonical SMILES for molecular hydrogen;N-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-amine is CC(C)N1CC(Nc2ccncn2)C1.[H][H].
What is the InChIKey of molecular hydrogen;N-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-amine?
The InChIKey is IVYSWAUKSBIXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4.H2/c1-8(2)14-5-9(6-14)13-10-3-4-11-7-12-10;/h3-4,7-9H,5-6H2,1-2H3,(H,11,12,13);1H.
What are the key properties of molecular hydrogen;N-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-amine?
molecular hydrogen;N-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-amine has a molecular weight of 194.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 144655649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).