N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine

C12H22N4 — CID 62663943

IUPACN'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCC(C)NCCNc1cc(C(C)C)ncn1
InChIInChI=1S/C12H22N4/c1-9(2)11-7-12(16-8-15-11)14-6-5-13-10(3)4/h7-10,13H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyCLDZACKYDQRHQH-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.01
Rot. Bonds6

About N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine

N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 62663943) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID62663943
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCC(C)NCCNc1cc(C(C)C)ncn1
InChIInChI=1S/C12H22N4/c1-9(2)11-7-12(16-8-15-11)14-6-5-13-10(3)4/h7-10,13H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyCLDZACKYDQRHQH-UHFFFAOYSA-N
XLogP2.01
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
N-pentyl-6-propan-2-ylpyrimidin-4-amine
CID 61239397
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 58337037
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240740
N-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine
CID 103704412
N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 62614721
N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334042
3-N-ethyl-3-N-methyl-1-N-(6-propan-2-ylpyrimidin-4-yl)butane-1,3-diamine
CID 72838162
6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
CID 62142623
6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106293653
6-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 61240928

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine (CID 62663943) is N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine is CC(C)NCCNc1cc(C(C)C)ncn1.
What is the InChIKey of N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is CLDZACKYDQRHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)11-7-12(16-8-15-11)14-6-5-13-10(3)4/h7-10,13H,5-6H2,1-4H3,(H,14,15,16).
What are the key properties of N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine?
N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 62663943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).