N-cyclopropyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine

C14H24N4 — CID 113388041

IUPACN-cyclopropyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine
SMILESCCCNCc1cnc(N(CCC)C2CC2)nc1
InChIInChI=1S/C14H24N4/c1-3-7-15-9-12-10-16-14(17-11-12)18(8-4-2)13-5-6-13/h10-11,13,15H,3-9H2,1-2H3
InChIKeyMFDSQJDMGDYTTB-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.36
Rot. Bonds8

About N-cyclopropyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine

N-cyclopropyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine (PubChem CID 113388041) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-cyclopropyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine
PubChem CID113388041
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-cyclopropyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine
SMILESCCCNCc1cnc(N(CCC)C2CC2)nc1
InChIInChI=1S/C14H24N4/c1-3-7-15-9-12-10-16-14(17-11-12)18(8-4-2)13-5-6-13/h10-11,13,15H,3-9H2,1-2H3
InChIKeyMFDSQJDMGDYTTB-UHFFFAOYSA-N
XLogP2.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-cyclopropyl-2-N-propylpyrimidine-2,5-diamine
CID 61147883
N-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62749927
N-cyclopropyl-N-ethyl-5-(propylaminomethyl)pyridin-2-amine
CID 62279551
N-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80629872
N-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
CID 113388029
N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 107399952
N-cyclopropyl-N-(2-methoxyethyl)-4-methyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185808
N-cyclopropyl-N-ethyl-2,6-difluoro-4-(propylaminomethyl)aniline
CID 55146589
N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 60976157
N-cyclopentyl-N-ethyl-5-(methylaminomethyl)pyrimidin-2-amine
CID 113388064
N-cyclopropyl-4-methyl-5-[(2-methylpropylamino)methyl]-N-propylpyrimidin-2-amine
CID 83185783
N-cyclopropyl-5-(methylaminomethyl)-N-propylpyrazin-2-amine
CID 107379095

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine (CID 113388041) is N-cyclopropyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine is CCCNCc1cnc(N(CCC)C2CC2)nc1.
What is the InChIKey of N-cyclopropyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine?
The InChIKey is MFDSQJDMGDYTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-7-15-9-12-10-16-14(17-11-12)18(8-4-2)13-5-6-13/h10-11,13,15H,3-9H2,1-2H3.
What are the key properties of N-cyclopropyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine?
N-cyclopropyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine is sourced from PubChem (CID 113388041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).