N-(6-methoxy-2-methylpyrimidin-4-yl)-2-propylbutane-1,4-diamine

C13H24N4O — CID 106116587

IUPACN-(6-methoxy-2-methylpyrimidin-4-yl)-2-propylbutane-1,4-diamine
SMILESCCCC(CCN)CNc1cc(OC)nc(C)n1
InChIInChI=1S/C13H24N4O/c1-4-5-11(6-7-14)9-15-12-8-13(18-3)17-10(2)16-12/h8,11H,4-7,9,14H2,1-3H3,(H,15,16,17)
InChIKeyNTTOSRIVGHBDCV-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.97
Rot. Bonds8

About N-(6-methoxy-2-methylpyrimidin-4-yl)-2-propylbutane-1,4-diamine

N-(6-methoxy-2-methylpyrimidin-4-yl)-2-propylbutane-1,4-diamine (PubChem CID 106116587) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(6-methoxy-2-methylpyrimidin-4-yl)-2-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(6-methoxy-2-methylpyrimidin-4-yl)-2-propylbutane-1,4-diamine
PubChem CID106116587
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(6-methoxy-2-methylpyrimidin-4-yl)-2-propylbutane-1,4-diamine
SMILESCCCC(CCN)CNc1cc(OC)nc(C)n1
InChIInChI=1S/C13H24N4O/c1-4-5-11(6-7-14)9-15-12-8-13(18-3)17-10(2)16-12/h8,11H,4-7,9,14H2,1-3H3,(H,15,16,17)
InChIKeyNTTOSRIVGHBDCV-UHFFFAOYSA-N
XLogP1.97
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-methylpyrimidin-4-yl)-2-propylbutane-1,4-diamine?
The IUPAC name of N-(6-methoxy-2-methylpyrimidin-4-yl)-2-propylbutane-1,4-diamine (CID 106116587) is N-(6-methoxy-2-methylpyrimidin-4-yl)-2-propylbutane-1,4-diamine.
What is the SMILES notation for N-(6-methoxy-2-methylpyrimidin-4-yl)-2-propylbutane-1,4-diamine?
The canonical SMILES for N-(6-methoxy-2-methylpyrimidin-4-yl)-2-propylbutane-1,4-diamine is CCCC(CCN)CNc1cc(OC)nc(C)n1.
What is the InChIKey of N-(6-methoxy-2-methylpyrimidin-4-yl)-2-propylbutane-1,4-diamine?
The InChIKey is NTTOSRIVGHBDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-5-11(6-7-14)9-15-12-8-13(18-3)17-10(2)16-12/h8,11H,4-7,9,14H2,1-3H3,(H,15,16,17).
What are the key properties of N-(6-methoxy-2-methylpyrimidin-4-yl)-2-propylbutane-1,4-diamine?
N-(6-methoxy-2-methylpyrimidin-4-yl)-2-propylbutane-1,4-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-methylpyrimidin-4-yl)-2-propylbutane-1,4-diamine is sourced from PubChem (CID 106116587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).