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

C12H22N4 — CID 62785653

IUPACN'-(2-methylpropyl)-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine
SMILESCc1nccc(N(CCCN)CC(C)C)n1
InChIInChI=1S/C12H22N4/c1-10(2)9-16(8-4-6-13)12-5-7-14-11(3)15-12/h5,7,10H,4,6,8-9,13H2,1-3H3
InChIKeyCGJUAXOQXZCHHO-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.60
Rot. Bonds6

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

N'-(2-methylpropyl)-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine (PubChem CID 62785653) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine
PubChem CID62785653
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN'-(2-methylpropyl)-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine
SMILESCc1nccc(N(CCCN)CC(C)C)n1
InChIInChI=1S/C12H22N4/c1-10(2)9-16(8-4-6-13)12-5-7-14-11(3)15-12/h5,7,10H,4,6,8-9,13H2,1-3H3
InChIKeyCGJUAXOQXZCHHO-UHFFFAOYSA-N
XLogP1.60
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2,2-difluoroethyl)-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 107493991
N'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine
CID 62785297
2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine
CID 62343656
2-N-methyl-2-N-(2-methylpyrimidin-4-yl)propane-1,2-diamine
CID 82503810
N'-(2-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 80900495
N'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55006973
N-(2-chloroethyl)-N-ethyl-2-methylpyrimidin-4-amine
CID 63392490
N-(2-chloroethyl)-2-methyl-N-propylpyrimidin-4-amine
CID 63392200
N'-(2-methylpropyl)-N'-quinoxalin-2-ylethane-1,2-diamine
CID 62585650
N-[4-(aminomethyl)phenyl]-N,2-dimethylpyrimidin-4-amine
CID 62970102
3-[(2-methylpyrimidin-4-yl)-propan-2-ylamino]propanethioamide
CID 62785660
4-methyl-2-N-(2-methylpyrimidin-4-yl)pentane-1,2-diamine
CID 63759606

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(2-methylpropyl)-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine (CID 62785653) is N'-(2-methylpropyl)-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methylpropyl)-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methylpropyl)-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine is Cc1nccc(N(CCCN)CC(C)C)n1.
What is the InChIKey of N'-(2-methylpropyl)-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is CGJUAXOQXZCHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)9-16(8-4-6-13)12-5-7-14-11(3)15-12/h5,7,10H,4,6,8-9,13H2,1-3H3.
What are the key properties of N'-(2-methylpropyl)-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine?
N'-(2-methylpropyl)-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 62785653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).