N,3-dimethyl-1-pyrimidin-4-ylhexan-1-amine

C12H21N3 — CID 63989784

IUPACN,3-dimethyl-1-pyrimidin-4-ylhexan-1-amine
SMILESCCCC(C)CC(NC)c1ccncn1
InChIInChI=1S/C12H21N3/c1-4-5-10(2)8-12(13-3)11-6-7-14-9-15-11/h6-7,9-10,12-13H,4-5,8H2,1-3H3
InChIKeyJBASJLHTHMSKIL-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.56
Rot. Bonds6

About N,3-dimethyl-1-pyrimidin-4-ylhexan-1-amine

N,3-dimethyl-1-pyrimidin-4-ylhexan-1-amine (PubChem CID 63989784) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N,3-dimethyl-1-pyrimidin-4-ylhexan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-pyrimidin-4-ylhexan-1-amine
PubChem CID63989784
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN,3-dimethyl-1-pyrimidin-4-ylhexan-1-amine
SMILESCCCC(C)CC(NC)c1ccncn1
InChIInChI=1S/C12H21N3/c1-4-5-10(2)8-12(13-3)11-6-7-14-9-15-11/h6-7,9-10,12-13H,4-5,8H2,1-3H3
InChIKeyJBASJLHTHMSKIL-UHFFFAOYSA-N
XLogP2.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-pyrimidin-4-ylhexan-1-amine?
The IUPAC name of N,3-dimethyl-1-pyrimidin-4-ylhexan-1-amine (CID 63989784) is N,3-dimethyl-1-pyrimidin-4-ylhexan-1-amine.
What is the SMILES notation for N,3-dimethyl-1-pyrimidin-4-ylhexan-1-amine?
The canonical SMILES for N,3-dimethyl-1-pyrimidin-4-ylhexan-1-amine is CCCC(C)CC(NC)c1ccncn1.
What is the InChIKey of N,3-dimethyl-1-pyrimidin-4-ylhexan-1-amine?
The InChIKey is JBASJLHTHMSKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-5-10(2)8-12(13-3)11-6-7-14-9-15-11/h6-7,9-10,12-13H,4-5,8H2,1-3H3.
What are the key properties of N,3-dimethyl-1-pyrimidin-4-ylhexan-1-amine?
N,3-dimethyl-1-pyrimidin-4-ylhexan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-pyrimidin-4-ylhexan-1-amine is sourced from PubChem (CID 63989784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).