N'-methyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine

C14H26N4 — CID 113491499

IUPACN'-methyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCc1cc(C(C)C)nc(NCCN(C)C(C)C)n1
InChIInChI=1S/C14H26N4/c1-10(2)13-9-12(5)16-14(17-13)15-7-8-18(6)11(3)4/h9-11H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyNYKWXMHYJRIQHX-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.66
Rot. Bonds6

About N'-methyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine

N'-methyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 113491499) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-methyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID113491499
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN'-methyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCc1cc(C(C)C)nc(NCCN(C)C(C)C)n1
InChIInChI=1S/C14H26N4/c1-10(2)13-9-12(5)16-14(17-13)15-7-8-18(6)11(3)4/h9-11H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyNYKWXMHYJRIQHX-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine (CID 113491499) is N'-methyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine is Cc1cc(C(C)C)nc(NCCN(C)C(C)C)n1.
What is the InChIKey of N'-methyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is NYKWXMHYJRIQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-10(2)13-9-12(5)16-14(17-13)15-7-8-18(6)11(3)4/h9-11H,7-8H2,1-6H3,(H,15,16,17).
What are the key properties of N'-methyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine?
N'-methyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 113491499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).