di(pyrimidin-5-yl)methanamine

C9H9N5 — CID 102923336

IUPACdi(pyrimidin-5-yl)methanamine
SMILESNC(c1cncnc1)c1cncnc1
InChIInChI=1S/C9H9N5/c10-9(7-1-11-5-12-2-7)8-3-13-6-14-4-8/h1-6,9H,10H2
InChIKeyYSLVUAHYEGUKPW-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.31
Rot. Bonds2

About di(pyrimidin-5-yl)methanamine

di(pyrimidin-5-yl)methanamine (PubChem CID 102923336) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is di(pyrimidin-5-yl)methanamine.

Molecular Properties

Compound Namedi(pyrimidin-5-yl)methanamine
PubChem CID102923336
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC Namedi(pyrimidin-5-yl)methanamine
SMILESNC(c1cncnc1)c1cncnc1
InChIInChI=1S/C9H9N5/c10-9(7-1-11-5-12-2-7)8-3-13-6-14-4-8/h1-6,9H,10H2
InChIKeyYSLVUAHYEGUKPW-UHFFFAOYSA-N
XLogP0.31
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
CID 145185117
(3-chloro-2-pyridinyl)-pyrimidin-5-ylmethanamine
CID 103443848
(1S)-1-pyrimidin-5-ylprop-2-en-1-amine
CID 130737229
cyclohexen-1-yl(pyrimidin-5-yl)methanamine
CID 106657338
(3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine
CID 115827248
(3-methylthiophen-2-yl)-pyrimidin-5-ylmethanamine
CID 115827446
(3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine
CID 115827027
(3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine
CID 102923950
(2-fluoro-4,6-dimethylphenyl)-pyrimidin-5-ylmethanamine
CID 106883516
(3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine
CID 106647995
(3-methoxy-4-pyridinyl)-pyrimidin-5-ylmethanamine
CID 105065336
(5-fluoro-2-methylphenyl)-pyrimidin-5-ylmethanamine
CID 62492228

Frequently Asked Questions

What is the IUPAC name of di(pyrimidin-5-yl)methanamine?
The IUPAC name of di(pyrimidin-5-yl)methanamine (CID 102923336) is di(pyrimidin-5-yl)methanamine.
What is the SMILES notation for di(pyrimidin-5-yl)methanamine?
The canonical SMILES for di(pyrimidin-5-yl)methanamine is NC(c1cncnc1)c1cncnc1.
What is the InChIKey of di(pyrimidin-5-yl)methanamine?
The InChIKey is YSLVUAHYEGUKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5/c10-9(7-1-11-5-12-2-7)8-3-13-6-14-4-8/h1-6,9H,10H2.
What are the key properties of di(pyrimidin-5-yl)methanamine?
di(pyrimidin-5-yl)methanamine has a molecular weight of 187.21 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for di(pyrimidin-5-yl)methanamine is sourced from PubChem (CID 102923336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).