2,2-dimethyl-3-pyrimidin-5-ylcyclopropan-1-amine

C9H13N3 — CID 131142317

IUPAC2,2-dimethyl-3-pyrimidin-5-ylcyclopropan-1-amine
SMILESCC1(C)C(N)C1c1cncnc1
InChIInChI=1S/C9H13N3/c1-9(2)7(8(9)10)6-3-11-5-12-4-6/h3-5,7-8H,10H2,1-2H3
InChIKeyRTJGJOKFDLHNIX-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.93
Rot. Bonds1

About 2,2-dimethyl-3-pyrimidin-5-ylcyclopropan-1-amine

2,2-dimethyl-3-pyrimidin-5-ylcyclopropan-1-amine (PubChem CID 131142317) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2,2-dimethyl-3-pyrimidin-5-ylcyclopropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-pyrimidin-5-ylcyclopropan-1-amine
PubChem CID131142317
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2,2-dimethyl-3-pyrimidin-5-ylcyclopropan-1-amine
SMILESCC1(C)C(N)C1c1cncnc1
InChIInChI=1S/C9H13N3/c1-9(2)7(8(9)10)6-3-11-5-12-4-6/h3-5,7-8H,10H2,1-2H3
InChIKeyRTJGJOKFDLHNIX-UHFFFAOYSA-N
XLogP0.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-pyrimidin-5-ylcyclopropan-1-amine?
The IUPAC name of 2,2-dimethyl-3-pyrimidin-5-ylcyclopropan-1-amine (CID 131142317) is 2,2-dimethyl-3-pyrimidin-5-ylcyclopropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-pyrimidin-5-ylcyclopropan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-pyrimidin-5-ylcyclopropan-1-amine is CC1(C)C(N)C1c1cncnc1.
What is the InChIKey of 2,2-dimethyl-3-pyrimidin-5-ylcyclopropan-1-amine?
The InChIKey is RTJGJOKFDLHNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-9(2)7(8(9)10)6-3-11-5-12-4-6/h3-5,7-8H,10H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-pyrimidin-5-ylcyclopropan-1-amine?
2,2-dimethyl-3-pyrimidin-5-ylcyclopropan-1-amine has a molecular weight of 163.22 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-pyrimidin-5-ylcyclopropan-1-amine is sourced from PubChem (CID 131142317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).