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

C9H16N4 — CID 66107458

IUPAC2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine
SMILESCC(CCN)CNc1ccncn1
InChIInChI=1S/C9H16N4/c1-8(2-4-10)6-12-9-3-5-11-7-13-9/h3,5,7-8H,2,4,6,10H2,1H3,(H,11,12,13)
InChIKeyUQOKPRRXMPEOMC-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.87
Rot. Bonds5

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

2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine (PubChem CID 66107458) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine
PubChem CID66107458
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine
SMILESCC(CCN)CNc1ccncn1
InChIInChI=1S/C9H16N4/c1-8(2-4-10)6-12-9-3-5-11-7-13-9/h3,5,7-8H,2,4,6,10H2,1H3,(H,11,12,13)
InChIKeyUQOKPRRXMPEOMC-UHFFFAOYSA-N
XLogP0.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-pyrimidin-4-ylbutane-1,3-diamine
CID 83178912
N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102914055
N-(5-tert-butyl-2-pyridinyl)-2-methylbutane-1,4-diamine
CID 107875694
N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 62994036
N-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine
CID 66333180
2-[(pyrimidin-4-ylamino)methyl]butanoic acid
CID 65226291
N-(2-chloro-3-ethylpentyl)pyrimidin-4-amine
CID 106286880
N-(4-chloropentyl)pyrimidin-4-amine
CID 106124684
3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol
CID 106287831
ethane;N-ethylpyrimidin-4-amine
CID 167491074
2-methyl-N-(3-methyl-2-pyridinyl)butane-1,4-diamine
CID 66106814
N-(3-phenylbutyl)pyrimidin-4-amine
CID 55152180

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine?
The IUPAC name of 2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine (CID 66107458) is 2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine.
What is the SMILES notation for 2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine?
The canonical SMILES for 2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine is CC(CCN)CNc1ccncn1.
What is the InChIKey of 2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine?
The InChIKey is UQOKPRRXMPEOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-8(2-4-10)6-12-9-3-5-11-7-13-9/h3,5,7-8H,2,4,6,10H2,1H3,(H,11,12,13).
What are the key properties of 2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine?
2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine is sourced from PubChem (CID 66107458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).