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

C16H25N3 — CID 65420884

IUPACN-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]cyclopropanamine
SMILESCc1nc(C2CC2C)nc(C)c1CCCNC1CC1
InChIInChI=1S/C16H25N3/c1-10-9-15(10)16-18-11(2)14(12(3)19-16)5-4-8-17-13-6-7-13/h10,13,15,17H,4-9H2,1-3H3
InChIKeyCZNYALWYBKBCDZ-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.90
Rot. Bonds6

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

N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]cyclopropanamine (PubChem CID 65420884) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]cyclopropanamine
PubChem CID65420884
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]cyclopropanamine
SMILESCc1nc(C2CC2C)nc(C)c1CCCNC1CC1
InChIInChI=1S/C16H25N3/c1-10-9-15(10)16-18-11(2)14(12(3)19-16)5-4-8-17-13-6-7-13/h10,13,15,17H,4-9H2,1-3H3
InChIKeyCZNYALWYBKBCDZ-UHFFFAOYSA-N
XLogP2.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.90
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-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62745618
N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine
CID 65421104
N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 65399429
N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 55113678
N-[2-[4,6-diethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]ethyl]cyclopropanamine
CID 79218703
N-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62744044
N-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
CID 116731643
N-[3-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
CID 116731637
N-[3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 104807289
N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 62744769
N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine
CID 80637259
3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 55134669

Frequently Asked Questions

What is the IUPAC name of N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]cyclopropanamine (CID 65420884) is N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]cyclopropanamine is Cc1nc(C2CC2C)nc(C)c1CCCNC1CC1.
What is the InChIKey of N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]cyclopropanamine?
The InChIKey is CZNYALWYBKBCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-10-9-15(10)16-18-11(2)14(12(3)19-16)5-4-8-17-13-6-7-13/h10,13,15,17H,4-9H2,1-3H3.
What are the key properties of N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]cyclopropanamine?
N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]cyclopropanamine has a molecular weight of 259.40 g/mol, XLogP of 2.90, 6 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]cyclopropanamine is sourced from PubChem (CID 65420884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).