(2S)-2-N,2-N-dimethyl-1-N-(2,5,6-trimethylpyrimidin-4-yl)pentane-1,2-diamine

C14H26N4 — CID 97117039

IUPAC(2S)-2-N,2-N-dimethyl-1-N-(2,5,6-trimethylpyrimidin-4-yl)pentane-1,2-diamine
SMILESCCC[C@@H](CNc1nc(C)nc(C)c1C)N(C)C
InChIInChI=1S/C14H26N4/c1-7-8-13(18(5)6)9-15-14-10(2)11(3)16-12(4)17-14/h13H,7-9H2,1-6H3,(H,15,16,17)/t13-/m0/s1
InChIKeyAPDYRQCZRYMXQX-ZDUSSCGKSA-N
MW250.39 g/mol
LogP2.54
Rot. Bonds6

About (2S)-2-N,2-N-dimethyl-1-N-(2,5,6-trimethylpyrimidin-4-yl)pentane-1,2-diamine

(2S)-2-N,2-N-dimethyl-1-N-(2,5,6-trimethylpyrimidin-4-yl)pentane-1,2-diamine (PubChem CID 97117039) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is (2S)-2-N,2-N-dimethyl-1-N-(2,5,6-trimethylpyrimidin-4-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N,2-N-dimethyl-1-N-(2,5,6-trimethylpyrimidin-4-yl)pentane-1,2-diamine
PubChem CID97117039
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name(2S)-2-N,2-N-dimethyl-1-N-(2,5,6-trimethylpyrimidin-4-yl)pentane-1,2-diamine
SMILESCCC[C@@H](CNc1nc(C)nc(C)c1C)N(C)C
InChIInChI=1S/C14H26N4/c1-7-8-13(18(5)6)9-15-14-10(2)11(3)16-12(4)17-14/h13H,7-9H2,1-6H3,(H,15,16,17)/t13-/m0/s1
InChIKeyAPDYRQCZRYMXQX-ZDUSSCGKSA-N
XLogP2.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-N,2-N-dimethyl-1-N-(2,5,6-trimethylpyrimidin-4-yl)pentane-1,2-diamine?
The IUPAC name of (2S)-2-N,2-N-dimethyl-1-N-(2,5,6-trimethylpyrimidin-4-yl)pentane-1,2-diamine (CID 97117039) is (2S)-2-N,2-N-dimethyl-1-N-(2,5,6-trimethylpyrimidin-4-yl)pentane-1,2-diamine.
What is the SMILES notation for (2S)-2-N,2-N-dimethyl-1-N-(2,5,6-trimethylpyrimidin-4-yl)pentane-1,2-diamine?
The canonical SMILES for (2S)-2-N,2-N-dimethyl-1-N-(2,5,6-trimethylpyrimidin-4-yl)pentane-1,2-diamine is CCC[C@@H](CNc1nc(C)nc(C)c1C)N(C)C.
What is the InChIKey of (2S)-2-N,2-N-dimethyl-1-N-(2,5,6-trimethylpyrimidin-4-yl)pentane-1,2-diamine?
The InChIKey is APDYRQCZRYMXQX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N4/c1-7-8-13(18(5)6)9-15-14-10(2)11(3)16-12(4)17-14/h13H,7-9H2,1-6H3,(H,15,16,17)/t13-/m0/s1.
What are the key properties of (2S)-2-N,2-N-dimethyl-1-N-(2,5,6-trimethylpyrimidin-4-yl)pentane-1,2-diamine?
(2S)-2-N,2-N-dimethyl-1-N-(2,5,6-trimethylpyrimidin-4-yl)pentane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N,2-N-dimethyl-1-N-(2,5,6-trimethylpyrimidin-4-yl)pentane-1,2-diamine is sourced from PubChem (CID 97117039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).