2-(1,4-diazabicyclo[3.2.1]octan-4-yl)pyrimidin-5-amine

C10H15N5 — CID 67159569

IUPAC2-(1,4-diazabicyclo[3.2.1]octan-4-yl)pyrimidin-5-amine
SMILESNc1cnc(N2CCN3CCC2C3)nc1
InChIInChI=1S/C10H15N5/c11-8-5-12-10(13-6-8)15-4-3-14-2-1-9(15)7-14/h5-6,9H,1-4,7,11H2
InChIKeyYROTVXGRRDEAPZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP-0.05
Rot. Bonds1

About 2-(1,4-diazabicyclo[3.2.1]octan-4-yl)pyrimidin-5-amine

2-(1,4-diazabicyclo[3.2.1]octan-4-yl)pyrimidin-5-amine (PubChem CID 67159569) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[3.2.1]octan-4-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[3.2.1]octan-4-yl)pyrimidin-5-amine
PubChem CID67159569
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name2-(1,4-diazabicyclo[3.2.1]octan-4-yl)pyrimidin-5-amine
SMILESNc1cnc(N2CCN3CCC2C3)nc1
InChIInChI=1S/C10H15N5/c11-8-5-12-10(13-6-8)15-4-3-14-2-1-9(15)7-14/h5-6,9H,1-4,7,11H2
InChIKeyYROTVXGRRDEAPZ-UHFFFAOYSA-N
XLogP-0.05
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]pyrimidin-5-amine
CID 166062500
4-(6-chloropyrimidin-4-yl)-1,4-diazabicyclo[3.2.1]octane
CID 131029065
4-[5-(4-chlorophenyl)-2-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
CID 69316453
6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-[1,3]oxazolo[4,5-b]pyridine
CID 69369593
4-[5-(trifluoromethyl)-3-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
CID 69320217
4-[3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 10214797
7-(4-methoxypyrimidin-2-yl)-1,7-diazabicyclo[4.3.1]decane
CID 167867544
cyclohexanamine;2-piperidin-1-ylpyrimidin-5-amine
CID 144513190
2-(3,4-dimethylpiperazin-1-yl)pyrimidin-5-amine
CID 63609084
N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-yl]naphthalene-2-carboxamide
CID 91431398
1-(5-aminopyrimidin-2-yl)piperidine-3-carboxamide
CID 61146740
2-(1,4-diazabicyclo[3.2.1]octan-4-yl)-5,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine
CID 11715849

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazabicyclo[3.2.1]octan-4-yl)pyrimidin-5-amine?
The IUPAC name of 2-(1,4-diazabicyclo[3.2.1]octan-4-yl)pyrimidin-5-amine (CID 67159569) is 2-(1,4-diazabicyclo[3.2.1]octan-4-yl)pyrimidin-5-amine.
What is the SMILES notation for 2-(1,4-diazabicyclo[3.2.1]octan-4-yl)pyrimidin-5-amine?
The canonical SMILES for 2-(1,4-diazabicyclo[3.2.1]octan-4-yl)pyrimidin-5-amine is Nc1cnc(N2CCN3CCC2C3)nc1.
What is the InChIKey of 2-(1,4-diazabicyclo[3.2.1]octan-4-yl)pyrimidin-5-amine?
The InChIKey is YROTVXGRRDEAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c11-8-5-12-10(13-6-8)15-4-3-14-2-1-9(15)7-14/h5-6,9H,1-4,7,11H2.
What are the key properties of 2-(1,4-diazabicyclo[3.2.1]octan-4-yl)pyrimidin-5-amine?
2-(1,4-diazabicyclo[3.2.1]octan-4-yl)pyrimidin-5-amine has a molecular weight of 205.26 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazabicyclo[3.2.1]octan-4-yl)pyrimidin-5-amine is sourced from PubChem (CID 67159569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).