N',2-dimethyl-N'-(4-methylpyrimidin-2-yl)propane-1,3-diamine

C10H18N4 — CID 62960170

IUPACN',2-dimethyl-N'-(4-methylpyrimidin-2-yl)propane-1,3-diamine
SMILESCc1ccnc(N(C)CC(C)CN)n1
InChIInChI=1S/C10H18N4/c1-8(6-11)7-14(3)10-12-5-4-9(2)13-10/h4-5,8H,6-7,11H2,1-3H3
InChIKeyVOSSQSLDLWRWGG-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.82
Rot. Bonds4

About N',2-dimethyl-N'-(4-methylpyrimidin-2-yl)propane-1,3-diamine

N',2-dimethyl-N'-(4-methylpyrimidin-2-yl)propane-1,3-diamine (PubChem CID 62960170) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N',2-dimethyl-N'-(4-methylpyrimidin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-(4-methylpyrimidin-2-yl)propane-1,3-diamine
PubChem CID62960170
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN',2-dimethyl-N'-(4-methylpyrimidin-2-yl)propane-1,3-diamine
SMILESCc1ccnc(N(C)CC(C)CN)n1
InChIInChI=1S/C10H18N4/c1-8(6-11)7-14(3)10-12-5-4-9(2)13-10/h4-5,8H,6-7,11H2,1-3H3
InChIKeyVOSSQSLDLWRWGG-UHFFFAOYSA-N
XLogP0.82
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.82
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'-(4-methylpyrimidin-2-yl)propane-1,3-diamine?
The IUPAC name of N',2-dimethyl-N'-(4-methylpyrimidin-2-yl)propane-1,3-diamine (CID 62960170) is N',2-dimethyl-N'-(4-methylpyrimidin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N',2-dimethyl-N'-(4-methylpyrimidin-2-yl)propane-1,3-diamine?
The canonical SMILES for N',2-dimethyl-N'-(4-methylpyrimidin-2-yl)propane-1,3-diamine is Cc1ccnc(N(C)CC(C)CN)n1.
What is the InChIKey of N',2-dimethyl-N'-(4-methylpyrimidin-2-yl)propane-1,3-diamine?
The InChIKey is VOSSQSLDLWRWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8(6-11)7-14(3)10-12-5-4-9(2)13-10/h4-5,8H,6-7,11H2,1-3H3.
What are the key properties of N',2-dimethyl-N'-(4-methylpyrimidin-2-yl)propane-1,3-diamine?
N',2-dimethyl-N'-(4-methylpyrimidin-2-yl)propane-1,3-diamine has a molecular weight of 194.28 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-(4-methylpyrimidin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 62960170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).