N-(2-cyclopropylethyl)-2-[(1S)-1-[2-cyclopropylethyl(methyl)amino]ethyl]-N,6-dimethylpyrimidin-4-amine

C19H32N4 — CID 97252243

IUPACN-(2-cyclopropylethyl)-2-[(1S)-1-[2-cyclopropylethyl(methyl)amino]ethyl]-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)CCC2CC2)nc([C@H](C)N(C)CCC2CC2)n1
InChIInChI=1S/C19H32N4/c1-14-13-18(23(4)12-10-17-7-8-17)21-19(20-14)15(2)22(3)11-9-16-5-6-16/h13,15-17H,5-12H2,1-4H3/t15-/m0/s1
InChIKeyQQKZAWVVDDGGFZ-HNNXBMFYSA-N
MW316.49 g/mol
LogP3.81
Rot. Bonds9

About N-(2-cyclopropylethyl)-2-[(1S)-1-[2-cyclopropylethyl(methyl)amino]ethyl]-N,6-dimethylpyrimidin-4-amine

N-(2-cyclopropylethyl)-2-[(1S)-1-[2-cyclopropylethyl(methyl)amino]ethyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 97252243) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-2-[(1S)-1-[2-cyclopropylethyl(methyl)amino]ethyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-2-[(1S)-1-[2-cyclopropylethyl(methyl)amino]ethyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID97252243
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC NameN-(2-cyclopropylethyl)-2-[(1S)-1-[2-cyclopropylethyl(methyl)amino]ethyl]-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)CCC2CC2)nc([C@H](C)N(C)CCC2CC2)n1
InChIInChI=1S/C19H32N4/c1-14-13-18(23(4)12-10-17-7-8-17)21-19(20-14)15(2)22(3)11-9-16-5-6-16/h13,15-17H,5-12H2,1-4H3/t15-/m0/s1
InChIKeyQQKZAWVVDDGGFZ-HNNXBMFYSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-2-[(1S)-1-[2-cyclopropylethyl(methyl)amino]ethyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-(2-cyclopropylethyl)-2-[(1S)-1-[2-cyclopropylethyl(methyl)amino]ethyl]-N,6-dimethylpyrimidin-4-amine (CID 97252243) is N-(2-cyclopropylethyl)-2-[(1S)-1-[2-cyclopropylethyl(methyl)amino]ethyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(2-cyclopropylethyl)-2-[(1S)-1-[2-cyclopropylethyl(methyl)amino]ethyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(2-cyclopropylethyl)-2-[(1S)-1-[2-cyclopropylethyl(methyl)amino]ethyl]-N,6-dimethylpyrimidin-4-amine is Cc1cc(N(C)CCC2CC2)nc([C@H](C)N(C)CCC2CC2)n1.
What is the InChIKey of N-(2-cyclopropylethyl)-2-[(1S)-1-[2-cyclopropylethyl(methyl)amino]ethyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is QQKZAWVVDDGGFZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H32N4/c1-14-13-18(23(4)12-10-17-7-8-17)21-19(20-14)15(2)22(3)11-9-16-5-6-16/h13,15-17H,5-12H2,1-4H3/t15-/m0/s1.
What are the key properties of N-(2-cyclopropylethyl)-2-[(1S)-1-[2-cyclopropylethyl(methyl)amino]ethyl]-N,6-dimethylpyrimidin-4-amine?
N-(2-cyclopropylethyl)-2-[(1S)-1-[2-cyclopropylethyl(methyl)amino]ethyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 316.49 g/mol, XLogP of 3.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-2-[(1S)-1-[2-cyclopropylethyl(methyl)amino]ethyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 97252243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).