N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]cyclopropanamine

C14H17N5 — CID 63989194

IUPACN-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]cyclopropanamine
SMILESCc1nc(-c2ccncn2)nc(C)c1CNC1CC1
InChIInChI=1S/C14H17N5/c1-9-12(7-16-11-3-4-11)10(2)19-14(18-9)13-5-6-15-8-17-13/h5-6,8,11,16H,3-4,7H2,1-2H3
InChIKeyNCWMMIJQKMTMKL-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.80
Rot. Bonds4

About N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]cyclopropanamine

N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]cyclopropanamine (PubChem CID 63989194) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]cyclopropanamine
PubChem CID63989194
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC NameN-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]cyclopropanamine
SMILESCc1nc(-c2ccncn2)nc(C)c1CNC1CC1
InChIInChI=1S/C14H17N5/c1-9-12(7-16-11-3-4-11)10(2)19-14(18-9)13-5-6-15-8-17-13/h5-6,8,11,16H,3-4,7H2,1-2H3
InChIKeyNCWMMIJQKMTMKL-UHFFFAOYSA-N
XLogP1.80
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]cyclopropanamine
CID 62746207
N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 63990433
N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 63989399
N-[[4,6-dimethyl-2-(3-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62746699
N-[[2-(6-methoxypyridazin-3-yl)-4,6-dimethylpyrimidin-5-yl]methyl]cyclopropanamine
CID 103375222
4-chloro-5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidine
CID 63985246
5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 63984854
N,5,6-trimethyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 63984848
N-[(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]cyclopropanamine
CID 114206497
N-[[2-(3-bromo-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]cyclopropanamine
CID 82790078
N-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 66307314
5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 66307294

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]cyclopropanamine (CID 63989194) is N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]cyclopropanamine is Cc1nc(-c2ccncn2)nc(C)c1CNC1CC1.
What is the InChIKey of N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]cyclopropanamine?
The InChIKey is NCWMMIJQKMTMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-9-12(7-16-11-3-4-11)10(2)19-14(18-9)13-5-6-15-8-17-13/h5-6,8,11,16H,3-4,7H2,1-2H3.
What are the key properties of N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]cyclopropanamine?
N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]cyclopropanamine has a molecular weight of 255.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 63989194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).