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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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).