4,4-dimethyl-1-N-pyrimidin-2-ylpentane-1,2-diamine

C11H20N4 — CID 107159102

IUPAC4,4-dimethyl-1-N-pyrimidin-2-ylpentane-1,2-diamine
SMILESCC(C)(C)CC(N)CNc1ncccn1
InChIInChI=1S/C11H20N4/c1-11(2,3)7-9(12)8-15-10-13-5-4-6-14-10/h4-6,9H,7-8,12H2,1-3H3,(H,13,14,15)
InChIKeyHWUCWNVWSZLARM-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.65
Rot. Bonds4

About 4,4-dimethyl-1-N-pyrimidin-2-ylpentane-1,2-diamine

4,4-dimethyl-1-N-pyrimidin-2-ylpentane-1,2-diamine (PubChem CID 107159102) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4,4-dimethyl-1-N-pyrimidin-2-ylpentane-1,2-diamine.

Molecular Properties

Compound Name4,4-dimethyl-1-N-pyrimidin-2-ylpentane-1,2-diamine
PubChem CID107159102
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4,4-dimethyl-1-N-pyrimidin-2-ylpentane-1,2-diamine
SMILESCC(C)(C)CC(N)CNc1ncccn1
InChIInChI=1S/C11H20N4/c1-11(2,3)7-9(12)8-15-10-13-5-4-6-14-10/h4-6,9H,7-8,12H2,1-3H3,(H,13,14,15)
InChIKeyHWUCWNVWSZLARM-UHFFFAOYSA-N
XLogP1.65
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-N-pyrimidin-2-ylpentane-1,2-diamine?
The IUPAC name of 4,4-dimethyl-1-N-pyrimidin-2-ylpentane-1,2-diamine (CID 107159102) is 4,4-dimethyl-1-N-pyrimidin-2-ylpentane-1,2-diamine.
What is the SMILES notation for 4,4-dimethyl-1-N-pyrimidin-2-ylpentane-1,2-diamine?
The canonical SMILES for 4,4-dimethyl-1-N-pyrimidin-2-ylpentane-1,2-diamine is CC(C)(C)CC(N)CNc1ncccn1.
What is the InChIKey of 4,4-dimethyl-1-N-pyrimidin-2-ylpentane-1,2-diamine?
The InChIKey is HWUCWNVWSZLARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-11(2,3)7-9(12)8-15-10-13-5-4-6-14-10/h4-6,9H,7-8,12H2,1-3H3,(H,13,14,15).
What are the key properties of 4,4-dimethyl-1-N-pyrimidin-2-ylpentane-1,2-diamine?
4,4-dimethyl-1-N-pyrimidin-2-ylpentane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-N-pyrimidin-2-ylpentane-1,2-diamine is sourced from PubChem (CID 107159102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).