N'-propan-2-yl-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine

C13H24N4O — CID 112636280

IUPACN'-propan-2-yl-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine
SMILESCC(C)Oc1ccnc(N(CCCN)C(C)C)n1
InChIInChI=1S/C13H24N4O/c1-10(2)17(9-5-7-14)13-15-8-6-12(16-13)18-11(3)4/h6,8,10-11H,5,7,9,14H2,1-4H3
InChIKeyQPFNZFFJCNMUTD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.83
Rot. Bonds7

About N'-propan-2-yl-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine

N'-propan-2-yl-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine (PubChem CID 112636280) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-propan-2-yl-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine
PubChem CID112636280
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN'-propan-2-yl-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine
SMILESCC(C)Oc1ccnc(N(CCCN)C(C)C)n1
InChIInChI=1S/C13H24N4O/c1-10(2)17(9-5-7-14)13-15-8-6-12(16-13)18-11(3)4/h6,8,10-11H,5,7,9,14H2,1-4H3
InChIKeyQPFNZFFJCNMUTD-UHFFFAOYSA-N
XLogP1.83
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-propan-2-yloxypyrimidin-2-yl)-N'-propylpropane-1,3-diamine
CID 112636277
N'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788668
N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 112635420
N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
CID 114008164
N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323665
N'-(2-methyl-4-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
CID 112710088
1-cyclopropyl-N-methyl-N-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
CID 116653334
N,N'-diethyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639135
3-[(4-ethoxypyrimidin-2-yl)-propan-2-ylamino]propanoic acid
CID 112635997
4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine
CID 115975439
N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62734529
2-(4-propan-2-yloxypyrimidin-2-yl)acetonitrile
CID 112639154

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine?
The IUPAC name of N'-propan-2-yl-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine (CID 112636280) is N'-propan-2-yl-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-propan-2-yl-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-propan-2-yl-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine is CC(C)Oc1ccnc(N(CCCN)C(C)C)n1.
What is the InChIKey of N'-propan-2-yl-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine?
The InChIKey is QPFNZFFJCNMUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)17(9-5-7-14)13-15-8-6-12(16-13)18-11(3)4/h6,8,10-11H,5,7,9,14H2,1-4H3.
What are the key properties of N'-propan-2-yl-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine?
N'-propan-2-yl-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 112636280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).