N-methyl-1-[1-(4H-pyrimidin-4-id-2-yl)pyrrolidin-2-yl]methanamine;yttrium

C10H15N4Y- — CID 164927004

IUPACN-methyl-1-[1-(4H-pyrimidin-4-id-2-yl)pyrrolidin-2-yl]methanamine;yttrium
SMILESCNCC1CCCN1c1n[c-]ccn1.[Y]
InChIInChI=1S/C10H15N4.Y/c1-11-8-9-4-2-7-14(9)10-12-5-3-6-13-10;/h3,5,9,11H,2,4,7-8H2,1H3;/q-1;
InChIKeyLLGCWYAUNVBOMW-UHFFFAOYSA-N
MW280.16 g/mol
LogP0.46
Rot. Bonds3

About N-methyl-1-[1-(4H-pyrimidin-4-id-2-yl)pyrrolidin-2-yl]methanamine;yttrium

N-methyl-1-[1-(4H-pyrimidin-4-id-2-yl)pyrrolidin-2-yl]methanamine;yttrium (PubChem CID 164927004) has the molecular formula C10H15N4Y- and a molecular weight of 280.16 g/mol. Its IUPAC name is N-methyl-1-[1-(4H-pyrimidin-4-id-2-yl)pyrrolidin-2-yl]methanamine;yttrium.

Molecular Properties

Compound NameN-methyl-1-[1-(4H-pyrimidin-4-id-2-yl)pyrrolidin-2-yl]methanamine;yttrium
PubChem CID164927004
Molecular FormulaC10H15N4Y-
Molecular Weight280.16 g/mol
Exact Mass280.04
IUPAC NameN-methyl-1-[1-(4H-pyrimidin-4-id-2-yl)pyrrolidin-2-yl]methanamine;yttrium
SMILESCNCC1CCCN1c1n[c-]ccn1.[Y]
InChIInChI=1S/C10H15N4.Y/c1-11-8-9-4-2-7-14(9)10-12-5-3-6-13-10;/h3,5,9,11H,2,4,7-8H2,1H3;/q-1;
InChIKeyLLGCWYAUNVBOMW-UHFFFAOYSA-N
XLogP0.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4H-pyrimidin-4-id-2-yl)pyrrolidin-2-yl]methanamine;yttrium?
The IUPAC name of N-methyl-1-[1-(4H-pyrimidin-4-id-2-yl)pyrrolidin-2-yl]methanamine;yttrium (CID 164927004) is N-methyl-1-[1-(4H-pyrimidin-4-id-2-yl)pyrrolidin-2-yl]methanamine;yttrium.
What is the SMILES notation for N-methyl-1-[1-(4H-pyrimidin-4-id-2-yl)pyrrolidin-2-yl]methanamine;yttrium?
The canonical SMILES for N-methyl-1-[1-(4H-pyrimidin-4-id-2-yl)pyrrolidin-2-yl]methanamine;yttrium is CNCC1CCCN1c1n[c-]ccn1.[Y].
What is the InChIKey of N-methyl-1-[1-(4H-pyrimidin-4-id-2-yl)pyrrolidin-2-yl]methanamine;yttrium?
The InChIKey is LLGCWYAUNVBOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N4.Y/c1-11-8-9-4-2-7-14(9)10-12-5-3-6-13-10;/h3,5,9,11H,2,4,7-8H2,1H3;/q-1;.
What are the key properties of N-methyl-1-[1-(4H-pyrimidin-4-id-2-yl)pyrrolidin-2-yl]methanamine;yttrium?
N-methyl-1-[1-(4H-pyrimidin-4-id-2-yl)pyrrolidin-2-yl]methanamine;yttrium has a molecular weight of 280.16 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4H-pyrimidin-4-id-2-yl)pyrrolidin-2-yl]methanamine;yttrium is sourced from PubChem (CID 164927004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).