2-methyl-2-N-pyrimidin-4-ylbutane-1,2-diamine

C9H16N4 — CID 64550109

IUPAC2-methyl-2-N-pyrimidin-4-ylbutane-1,2-diamine
SMILESCCC(C)(CN)Nc1ccncn1
InChIInChI=1S/C9H16N4/c1-3-9(2,6-10)13-8-4-5-11-7-12-8/h4-5,7H,3,6,10H2,1-2H3,(H,11,12,13)
InChIKeyGYALMZAHCCTECH-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.02
Rot. Bonds4

About 2-methyl-2-N-pyrimidin-4-ylbutane-1,2-diamine

2-methyl-2-N-pyrimidin-4-ylbutane-1,2-diamine (PubChem CID 64550109) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methyl-2-N-pyrimidin-4-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-pyrimidin-4-ylbutane-1,2-diamine
PubChem CID64550109
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-methyl-2-N-pyrimidin-4-ylbutane-1,2-diamine
SMILESCCC(C)(CN)Nc1ccncn1
InChIInChI=1S/C9H16N4/c1-3-9(2,6-10)13-8-4-5-11-7-12-8/h4-5,7H,3,6,10H2,1-2H3,(H,11,12,13)
InChIKeyGYALMZAHCCTECH-UHFFFAOYSA-N
XLogP1.02
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-N-pyridin-4-ylbutane-1,2-diamine
CID 64549693
ethane;N-ethylpyrimidin-4-amine
CID 167491074
2-N-(5-bromopyrimidin-4-yl)-2-methylbutane-1,2-diamine
CID 66319839
N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329310
methyl 2-methyl-2-(pyrimidin-4-ylamino)pentanoate
CID 62007006
N-(3-methylpentan-3-yl)pyrazin-2-amine
CID 106329836
2-methyl-2-N-(1,2,4-thiadiazol-5-yl)butane-1,2-diamine
CID 65277894
2-amino-2-methyl-N-pyrimidin-4-ylpropanamide
CID 83617917
2-N-(2,6-dimethylpyrimidin-4-yl)-2-methylbutane-1,2-diamine
CID 64551143
2-methyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine
CID 64551760
2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine
CID 66107458
3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol
CID 106287831

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-pyrimidin-4-ylbutane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-pyrimidin-4-ylbutane-1,2-diamine (CID 64550109) is 2-methyl-2-N-pyrimidin-4-ylbutane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-pyrimidin-4-ylbutane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-pyrimidin-4-ylbutane-1,2-diamine is CCC(C)(CN)Nc1ccncn1.
What is the InChIKey of 2-methyl-2-N-pyrimidin-4-ylbutane-1,2-diamine?
The InChIKey is GYALMZAHCCTECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-9(2,6-10)13-8-4-5-11-7-12-8/h4-5,7H,3,6,10H2,1-2H3,(H,11,12,13).
What are the key properties of 2-methyl-2-N-pyrimidin-4-ylbutane-1,2-diamine?
2-methyl-2-N-pyrimidin-4-ylbutane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-pyrimidin-4-ylbutane-1,2-diamine is sourced from PubChem (CID 64550109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).