N-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine

C15H14N4O — CID 116898654

IUPACN-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine
SMILESc1cc(-c2ccc3ncoc3c2)nc(CNC2CC2)n1
InChIInChI=1S/C15H14N4O/c1-4-13-14(20-9-18-13)7-10(1)12-5-6-16-15(19-12)8-17-11-2-3-11/h1,4-7,9,11,17H,2-3,8H2
InChIKeyDCINROBUFQXKPL-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.54
Rot. Bonds4

About N-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine

N-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine (PubChem CID 116898654) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine
PubChem CID116898654
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine
SMILESc1cc(-c2ccc3ncoc3c2)nc(CNC2CC2)n1
InChIInChI=1S/C15H14N4O/c1-4-13-14(20-9-18-13)7-10(1)12-5-6-16-15(19-12)8-17-11-2-3-11/h1,4-7,9,11,17H,2-3,8H2
InChIKeyDCINROBUFQXKPL-UHFFFAOYSA-N
XLogP2.54
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine
CID 116900490
N-[[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898651
N-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine
CID 63318876
N-methyl-1-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]methanamine
CID 116897504
N-[[4-(2-fluorophenyl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898661
[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine
CID 116892346
N-[[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898658
3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892896
2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid
CID 84664586
3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propanenitrile
CID 116895128
N-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine
CID 116897785
1-N-(1,3-benzoxazol-6-ylmethyl)cyclopentane-1,2-diamine
CID 115117420

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine (CID 116898654) is N-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine is c1cc(-c2ccc3ncoc3c2)nc(CNC2CC2)n1.
What is the InChIKey of N-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine?
The InChIKey is DCINROBUFQXKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-4-13-14(20-9-18-13)7-10(1)12-5-6-16-15(19-12)8-17-11-2-3-11/h1,4-7,9,11,17H,2-3,8H2.
What are the key properties of N-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine?
N-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine has a molecular weight of 266.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116898654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).