N',2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine

C13H24N4 — CID 54991803

IUPACN',2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
SMILESCc1cc(N(C)CC(C)CN)nc(C(C)C)n1
InChIInChI=1S/C13H24N4/c1-9(2)13-15-11(4)6-12(16-13)17(5)8-10(3)7-14/h6,9-10H,7-8,14H2,1-5H3
InChIKeyUIXPMSGJBNNYDF-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.94
Rot. Bonds5

About N',2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine

N',2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine (PubChem CID 54991803) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N',2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
PubChem CID54991803
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN',2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
SMILESCc1cc(N(C)CC(C)CN)nc(C(C)C)n1
InChIInChI=1S/C13H24N4/c1-9(2)13-15-11(4)6-12(16-13)17(5)8-10(3)7-14/h6,9-10H,7-8,14H2,1-5H3
InChIKeyUIXPMSGJBNNYDF-UHFFFAOYSA-N
XLogP1.94
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N',2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine (CID 54991803) is N',2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N',2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine is Cc1cc(N(C)CC(C)CN)nc(C(C)C)n1.
What is the InChIKey of N',2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is UIXPMSGJBNNYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-9(2)13-15-11(4)6-12(16-13)17(5)8-10(3)7-14/h6,9-10H,7-8,14H2,1-5H3.
What are the key properties of N',2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine?
N',2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 54991803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).