[(2R)-1-pyrimidin-5-ylpyrrolidin-2-yl]methanamine

C9H14N4 — CID 131071995

IUPAC[(2R)-1-pyrimidin-5-ylpyrrolidin-2-yl]methanamine
SMILESNC[C@H]1CCCN1c1cncnc1
InChIInChI=1S/C9H14N4/c10-4-8-2-1-3-13(8)9-5-11-7-12-6-9/h5-8H,1-4,10H2/t8-/m1/s1
InChIKeyCMZGHDNGSMEOBZ-MRVPVSSYSA-N
MW178.24 g/mol
LogP0.40
Rot. Bonds2

About [(2R)-1-pyrimidin-5-ylpyrrolidin-2-yl]methanamine

[(2R)-1-pyrimidin-5-ylpyrrolidin-2-yl]methanamine (PubChem CID 131071995) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is [(2R)-1-pyrimidin-5-ylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-1-pyrimidin-5-ylpyrrolidin-2-yl]methanamine
PubChem CID131071995
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name[(2R)-1-pyrimidin-5-ylpyrrolidin-2-yl]methanamine
SMILESNC[C@H]1CCCN1c1cncnc1
InChIInChI=1S/C9H14N4/c10-4-8-2-1-3-13(8)9-5-11-7-12-6-9/h5-8H,1-4,10H2/t8-/m1/s1
InChIKeyCMZGHDNGSMEOBZ-MRVPVSSYSA-N
XLogP0.40
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1,2,4-triazin-6-yl)pyrrolidin-2-yl]methanamine
CID 112709458
(1-pyridin-4-ylazepan-2-yl)methanamine
CID 116640201
[1-(5-iodopyrimidin-4-yl)azepan-2-yl]methanamine
CID 116640270
[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 71644678
[1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 103279190
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 16643268
(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine
CID 62591385
[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine
CID 63872286
[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanamine
CID 18446041
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71638307
[1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine
CID 3072417

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-pyrimidin-5-ylpyrrolidin-2-yl]methanamine?
The IUPAC name of [(2R)-1-pyrimidin-5-ylpyrrolidin-2-yl]methanamine (CID 131071995) is [(2R)-1-pyrimidin-5-ylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2R)-1-pyrimidin-5-ylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2R)-1-pyrimidin-5-ylpyrrolidin-2-yl]methanamine is NC[C@H]1CCCN1c1cncnc1.
What is the InChIKey of [(2R)-1-pyrimidin-5-ylpyrrolidin-2-yl]methanamine?
The InChIKey is CMZGHDNGSMEOBZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N4/c10-4-8-2-1-3-13(8)9-5-11-7-12-6-9/h5-8H,1-4,10H2/t8-/m1/s1.
What are the key properties of [(2R)-1-pyrimidin-5-ylpyrrolidin-2-yl]methanamine?
[(2R)-1-pyrimidin-5-ylpyrrolidin-2-yl]methanamine has a molecular weight of 178.24 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-pyrimidin-5-ylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 131071995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).