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

C12H22N4 — CID 61240740

IUPACN',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
SMILESCC(C)c1cc(NCCCN(C)C)ncn1
InChIInChI=1S/C12H22N4/c1-10(2)11-8-12(15-9-14-11)13-6-5-7-16(3)4/h8-10H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyJBTSWVXWGSYREG-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.96
Rot. Bonds6

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

N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine (PubChem CID 61240740) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
PubChem CID61240740
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
SMILESCC(C)c1cc(NCCCN(C)C)ncn1
InChIInChI=1S/C12H22N4/c1-10(2)11-8-12(15-9-14-11)13-6-5-7-16(3)4/h8-10H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyJBTSWVXWGSYREG-UHFFFAOYSA-N
XLogP1.96
TPSA41.05 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 ≤ 51.96
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

N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 58337037
6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855266
N-pentyl-6-propan-2-ylpyrimidin-4-amine
CID 61239397
N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240160
N'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine
CID 107844656
6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281911
N-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine
CID 103704412
N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 62663943
4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112857775
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958
N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 61233848
N-(6-chloropyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 56832156

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine (CID 61240740) is N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine is CC(C)c1cc(NCCCN(C)C)ncn1.
What is the InChIKey of N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is JBTSWVXWGSYREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)11-8-12(15-9-14-11)13-6-5-7-16(3)4/h8-10H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine?
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 61240740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).