2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-3-azabicyclo[3.1.0]hexan-6-amine

C12H19N5 — CID 82389916

IUPAC2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCc1ncc(C2NCC3C(N)C23)c(N(C)C)n1
InChIInChI=1S/C12H19N5/c1-6-14-5-8(12(16-6)17(2)3)11-9-7(4-15-11)10(9)13/h5,7,9-11,15H,4,13H2,1-3H3
InChIKeyKHLDYGGXRFVZKV-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.07
Rot. Bonds2

About 2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-3-azabicyclo[3.1.0]hexan-6-amine

2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 82389916) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID82389916
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCc1ncc(C2NCC3C(N)C23)c(N(C)C)n1
InChIInChI=1S/C12H19N5/c1-6-14-5-8(12(16-6)17(2)3)11-9-7(4-15-11)10(9)13/h5,7,9-11,15H,4,13H2,1-3H3
InChIKeyKHLDYGGXRFVZKV-UHFFFAOYSA-N
XLogP0.07
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylamino)-2-methylpyrimidine-5-carbothioamide
CID 130541208
4-(dimethylamino)-2-methylpyrimidine-5-carboxamide
CID 23423588
2-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-5-amine
CID 131856365
2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-N'-hydroxyethanimidamide
CID 83884463
5-bromo-N,2-dimethyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 83844947
2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-5-ol
CID 82414595
5-methyl-4,6,11-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene
CID 84662219
5-(aziridin-2-yl)-2-methylpyridine
CID 129016898
2-methyl-5-pyrimidin-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 121387131
4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 115148774
2-methyl-5-(2-methylpropyl)-4-piperidin-4-ylpyrimidine
CID 96597490
5-bromo-N-methoxy-N,2-dimethylpyrimidin-4-amine
CID 130639014

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-3-azabicyclo[3.1.0]hexan-6-amine (CID 82389916) is 2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-3-azabicyclo[3.1.0]hexan-6-amine is Cc1ncc(C2NCC3C(N)C23)c(N(C)C)n1.
What is the InChIKey of 2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is KHLDYGGXRFVZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-6-14-5-8(12(16-6)17(2)3)11-9-7(4-15-11)10(9)13/h5,7,9-11,15H,4,13H2,1-3H3.
What are the key properties of 2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-3-azabicyclo[3.1.0]hexan-6-amine?
2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 233.32 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 82389916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).