N,4-dicyclopropyl-5-(propylaminomethyl)pyrimidin-2-amine

C14H22N4 — CID 114206896

IUPACN,4-dicyclopropyl-5-(propylaminomethyl)pyrimidin-2-amine
SMILESCCCNCc1cnc(NC2CC2)nc1C1CC1
InChIInChI=1S/C14H22N4/c1-2-7-15-8-11-9-16-14(17-12-5-6-12)18-13(11)10-3-4-10/h9-10,12,15H,2-8H2,1H3,(H,16,17,18)
InChIKeyBWAULJBHCKHRGF-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.43
Rot. Bonds7

About N,4-dicyclopropyl-5-(propylaminomethyl)pyrimidin-2-amine

N,4-dicyclopropyl-5-(propylaminomethyl)pyrimidin-2-amine (PubChem CID 114206896) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N,4-dicyclopropyl-5-(propylaminomethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dicyclopropyl-5-(propylaminomethyl)pyrimidin-2-amine
PubChem CID114206896
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN,4-dicyclopropyl-5-(propylaminomethyl)pyrimidin-2-amine
SMILESCCCNCc1cnc(NC2CC2)nc1C1CC1
InChIInChI=1S/C14H22N4/c1-2-7-15-8-11-9-16-14(17-12-5-6-12)18-13(11)10-3-4-10/h9-10,12,15H,2-8H2,1H3,(H,16,17,18)
InChIKeyBWAULJBHCKHRGF-UHFFFAOYSA-N
XLogP2.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 114206897
N,4-dicyclopropyl-5-methylpyrimidin-2-amine
CID 64919141
N-[(4-cyclopropyl-2-propylpyrimidin-5-yl)methyl]cyclopropanamine
CID 114206909
N-[[2-(cyclodecylamino)-4-cyclooctylpyrimidin-5-yl]methyl]cycloundecanecarboxamide
CID 155041748
N-cyclopropyl-6-propyl-4-(propylaminomethyl)pyridin-2-amine
CID 113381475
N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 81255109
N,4-dicyclopropyl-5-pyrazin-2-ylpyrimidin-2-amine
CID 95857494
N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186228
N-[[4-cyclopropyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]ethanamine
CID 114206879
5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine
CID 114926916
4-chloro-N-cyclopropyl-6-propylpyrimidin-2-amine
CID 82461167
N-[[4-ethyl-2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 114206721

Frequently Asked Questions

What is the IUPAC name of N,4-dicyclopropyl-5-(propylaminomethyl)pyrimidin-2-amine?
The IUPAC name of N,4-dicyclopropyl-5-(propylaminomethyl)pyrimidin-2-amine (CID 114206896) is N,4-dicyclopropyl-5-(propylaminomethyl)pyrimidin-2-amine.
What is the SMILES notation for N,4-dicyclopropyl-5-(propylaminomethyl)pyrimidin-2-amine?
The canonical SMILES for N,4-dicyclopropyl-5-(propylaminomethyl)pyrimidin-2-amine is CCCNCc1cnc(NC2CC2)nc1C1CC1.
What is the InChIKey of N,4-dicyclopropyl-5-(propylaminomethyl)pyrimidin-2-amine?
The InChIKey is BWAULJBHCKHRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-7-15-8-11-9-16-14(17-12-5-6-12)18-13(11)10-3-4-10/h9-10,12,15H,2-8H2,1H3,(H,16,17,18).
What are the key properties of N,4-dicyclopropyl-5-(propylaminomethyl)pyrimidin-2-amine?
N,4-dicyclopropyl-5-(propylaminomethyl)pyrimidin-2-amine has a molecular weight of 246.36 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dicyclopropyl-5-(propylaminomethyl)pyrimidin-2-amine is sourced from PubChem (CID 114206896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).