N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine

C12H22N4 — CID 106045508

IUPACN'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine
SMILESCC(C)N(C)CCCNCc1ncccn1
InChIInChI=1S/C12H22N4/c1-11(2)16(3)9-5-6-13-10-12-14-7-4-8-15-12/h4,7-8,11,13H,5-6,9-10H2,1-3H3
InChIKeySLZBDPNLRIGEMS-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.30
Rot. Bonds7

About N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine

N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine (PubChem CID 106045508) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine
PubChem CID106045508
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine
SMILESCC(C)N(C)CCCNCc1ncccn1
InChIInChI=1S/C12H22N4/c1-11(2)16(3)9-5-6-13-10-12-14-7-4-8-15-12/h4,7-8,11,13H,5-6,9-10H2,1-3H3
InChIKeySLZBDPNLRIGEMS-UHFFFAOYSA-N
XLogP1.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(pyrimidin-2-ylmethyl)pentan-1-amine
CID 62699736
3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile
CID 62893892
N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040849
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045547
N'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine
CID 62762910
N-[(3-chloro-4-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045751
N'-methyl-N'-propan-2-yl-N-(1-pyridin-2-ylethyl)propane-1,3-diamine
CID 113343834
N-propyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 114553106
[4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol
CID 106045460
N-[(2,3-dimethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103614549
N'-methyl-N'-propan-2-yl-N-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 106045836
N-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040713

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine (CID 106045508) is N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine is CC(C)N(C)CCCNCc1ncccn1.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine?
The InChIKey is SLZBDPNLRIGEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-11(2)16(3)9-5-6-13-10-12-14-7-4-8-15-12/h4,7-8,11,13H,5-6,9-10H2,1-3H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine?
N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 106045508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).