N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine

C13H18N4 — CID 114216445

IUPACN-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine
SMILESC#CCN(CC1CC1)c1ncncc1CNC
InChIInChI=1S/C13H18N4/c1-3-6-17(9-11-4-5-11)13-12(7-14-2)8-15-10-16-13/h1,8,10-11,14H,4-7,9H2,2H3
InChIKeyPYKJELYGEZLQBI-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.05
Rot. Bonds6

About N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine

N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine (PubChem CID 114216445) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine
PubChem CID114216445
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine
SMILESC#CCN(CC1CC1)c1ncncc1CNC
InChIInChI=1S/C13H18N4/c1-3-6-17(9-11-4-5-11)13-12(7-14-2)8-15-10-16-13/h1,8,10-11,14H,4-7,9H2,2H3
InChIKeyPYKJELYGEZLQBI-UHFFFAOYSA-N
XLogP1.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-4-amine
CID 114216358
N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)pyrimidin-4-amine
CID 114216195
N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyrimidin-4-amine
CID 114216105
N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine
CID 114216274
N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 114216347
4-[cyclopropylmethyl(methyl)amino]pyrimidine-5-carbonitrile
CID 126979906
4-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-2-amine
CID 114926855
N-(cyclopropylmethyl)-5-(propylaminomethyl)-N-prop-2-ynylpyrazin-2-amine
CID 107380630
N-(3-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyrimidin-4-amine
CID 114216152
N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine
CID 106776241
N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)pyridin-3-amine
CID 105073981
(1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol
CID 114056189

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine (CID 114216445) is N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine is C#CCN(CC1CC1)c1ncncc1CNC.
What is the InChIKey of N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine?
The InChIKey is PYKJELYGEZLQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-6-17(9-11-4-5-11)13-12(7-14-2)8-15-10-16-13/h1,8,10-11,14H,4-7,9H2,2H3.
What are the key properties of N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine?
N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine has a molecular weight of 230.31 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine is sourced from PubChem (CID 114216445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).