N-[(1-phenylcyclopropyl)methyl]pyrimidin-5-amine

C14H15N3 — CID 82538880

IUPACN-[(1-phenylcyclopropyl)methyl]pyrimidin-5-amine
SMILESc1ccc(C2(CNc3cncnc3)CC2)cc1
InChIInChI=1S/C14H15N3/c1-2-4-12(5-3-1)14(6-7-14)10-17-13-8-15-11-16-9-13/h1-5,8-9,11,17H,6-7,10H2
InChIKeyLFXKYYAVVMWKFB-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.62
Rot. Bonds4

About N-[(1-phenylcyclopropyl)methyl]pyrimidin-5-amine

N-[(1-phenylcyclopropyl)methyl]pyrimidin-5-amine (PubChem CID 82538880) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is N-[(1-phenylcyclopropyl)methyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(1-phenylcyclopropyl)methyl]pyrimidin-5-amine
PubChem CID82538880
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC NameN-[(1-phenylcyclopropyl)methyl]pyrimidin-5-amine
SMILESc1ccc(C2(CNc3cncnc3)CC2)cc1
InChIInChI=1S/C14H15N3/c1-2-4-12(5-3-1)14(6-7-14)10-17-13-8-15-11-16-9-13/h1-5,8-9,11,17H,6-7,10H2
InChIKeyLFXKYYAVVMWKFB-UHFFFAOYSA-N
XLogP2.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopropyl)methyl]pyrimidin-5-amine?
The IUPAC name of N-[(1-phenylcyclopropyl)methyl]pyrimidin-5-amine (CID 82538880) is N-[(1-phenylcyclopropyl)methyl]pyrimidin-5-amine.
What is the SMILES notation for N-[(1-phenylcyclopropyl)methyl]pyrimidin-5-amine?
The canonical SMILES for N-[(1-phenylcyclopropyl)methyl]pyrimidin-5-amine is c1ccc(C2(CNc3cncnc3)CC2)cc1.
What is the InChIKey of N-[(1-phenylcyclopropyl)methyl]pyrimidin-5-amine?
The InChIKey is LFXKYYAVVMWKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-4-12(5-3-1)14(6-7-14)10-17-13-8-15-11-16-9-13/h1-5,8-9,11,17H,6-7,10H2.
What are the key properties of N-[(1-phenylcyclopropyl)methyl]pyrimidin-5-amine?
N-[(1-phenylcyclopropyl)methyl]pyrimidin-5-amine has a molecular weight of 225.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopropyl)methyl]pyrimidin-5-amine is sourced from PubChem (CID 82538880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).