2-[(3-ethylpentan-3-ylamino)methyl]pyrimidin-4-amine

C12H22N4 — CID 136517017

IUPAC2-[(3-ethylpentan-3-ylamino)methyl]pyrimidin-4-amine
SMILESCCC(CC)(CC)NCc1nccc(N)n1
InChIInChI=1S/C12H22N4/c1-4-12(5-2,6-3)15-9-11-14-8-7-10(13)16-11/h7-8,15H,4-6,9H2,1-3H3,(H2,13,14,16)
InChIKeyVTACMMXMIOQYBV-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.12
Rot. Bonds6

About 2-[(3-ethylpentan-3-ylamino)methyl]pyrimidin-4-amine

2-[(3-ethylpentan-3-ylamino)methyl]pyrimidin-4-amine (PubChem CID 136517017) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-[(3-ethylpentan-3-ylamino)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-ethylpentan-3-ylamino)methyl]pyrimidin-4-amine
PubChem CID136517017
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-[(3-ethylpentan-3-ylamino)methyl]pyrimidin-4-amine
SMILESCCC(CC)(CC)NCc1nccc(N)n1
InChIInChI=1S/C12H22N4/c1-4-12(5-2,6-3)15-9-11-14-8-7-10(13)16-11/h7-8,15H,4-6,9H2,1-3H3,(H2,13,14,16)
InChIKeyVTACMMXMIOQYBV-UHFFFAOYSA-N
XLogP2.12
TPSA63.83 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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylpentan-3-ylamino)methyl]pyrimidin-4-amine?
The IUPAC name of 2-[(3-ethylpentan-3-ylamino)methyl]pyrimidin-4-amine (CID 136517017) is 2-[(3-ethylpentan-3-ylamino)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-ethylpentan-3-ylamino)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[(3-ethylpentan-3-ylamino)methyl]pyrimidin-4-amine is CCC(CC)(CC)NCc1nccc(N)n1.
What is the InChIKey of 2-[(3-ethylpentan-3-ylamino)methyl]pyrimidin-4-amine?
The InChIKey is VTACMMXMIOQYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-12(5-2,6-3)15-9-11-14-8-7-10(13)16-11/h7-8,15H,4-6,9H2,1-3H3,(H2,13,14,16).
What are the key properties of 2-[(3-ethylpentan-3-ylamino)methyl]pyrimidin-4-amine?
2-[(3-ethylpentan-3-ylamino)methyl]pyrimidin-4-amine has a molecular weight of 222.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylpentan-3-ylamino)methyl]pyrimidin-4-amine is sourced from PubChem (CID 136517017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).