N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine

C17H29N3 — CID 65421104

IUPACN-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine
SMILESCc1nc(C2CC2C)nc(C)c1CCCNCC(C)C
InChIInChI=1S/C17H29N3/c1-11(2)10-18-8-6-7-15-13(4)19-17(20-14(15)5)16-9-12(16)3/h11-12,16,18H,6-10H2,1-5H3
InChIKeyQTPMRDJXLLOEKI-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.40
Rot. Bonds7

About N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine

N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine (PubChem CID 65421104) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine
PubChem CID65421104
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine
SMILESCc1nc(C2CC2C)nc(C)c1CCCNCC(C)C
InChIInChI=1S/C17H29N3/c1-11(2)10-18-8-6-7-15-13(4)19-17(20-14(15)5)16-9-12(16)3/h11-12,16,18H,6-10H2,1-5H3
InChIKeyQTPMRDJXLLOEKI-UHFFFAOYSA-N
XLogP3.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine
CID 80630948
N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 65420884
N-[3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]propyl]-2-methylpropan-1-amine
CID 115347169
N-[3-[4,6-dimethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine
CID 62745801
N-tert-butyl-3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]-2-methylpropan-1-amine
CID 65419797
N-[[4,6-dimethyl-2-(4-methylcyclohexyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62746721
3-(2-cyclobutyl-4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 64985851
3-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine
CID 107924277
3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 55134669
3-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 80637394
N-(2-methylpropyl)-4-(2,4,6-trichlorophenyl)butan-1-amine
CID 105350340
3-[2-(5,6-dimethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 103346829

Frequently Asked Questions

What is the IUPAC name of N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine (CID 65421104) is N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine is Cc1nc(C2CC2C)nc(C)c1CCCNCC(C)C.
What is the InChIKey of N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine?
The InChIKey is QTPMRDJXLLOEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-11(2)10-18-8-6-7-15-13(4)19-17(20-14(15)5)16-9-12(16)3/h11-12,16,18H,6-10H2,1-5H3.
What are the key properties of N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine?
N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65421104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).