[(2S,4S)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methanamine;dihydrochloride

C10H18Cl2N4O — CID 139023976

IUPAC[(2S,4S)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methanamine;dihydrochloride
SMILESCO[C@H]1C[C@@H](CN)N(c2ccncn2)C1.Cl.Cl
InChIInChI=1S/C10H16N4O.2ClH/c1-15-9-4-8(5-11)14(6-9)10-2-3-12-7-13-10;;/h2-3,7-9H,4-6,11H2,1H3;2*1H/t8-,9-;;/m0../s1
InChIKeyQZCPWMYALRMDAT-CDEWPDHBSA-N
MW281.19 g/mol
LogP0.87
Rot. Bonds3

About [(2S,4S)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methanamine;dihydrochloride

[(2S,4S)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methanamine;dihydrochloride (PubChem CID 139023976) has the molecular formula C10H18Cl2N4O and a molecular weight of 281.19 g/mol. Its IUPAC name is [(2S,4S)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[(2S,4S)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methanamine;dihydrochloride
PubChem CID139023976
Molecular FormulaC10H18Cl2N4O
Molecular Weight281.19 g/mol
Exact Mass280.09
IUPAC Name[(2S,4S)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methanamine;dihydrochloride
SMILESCO[C@H]1C[C@@H](CN)N(c2ccncn2)C1.Cl.Cl
InChIInChI=1S/C10H16N4O.2ClH/c1-15-9-4-8(5-11)14(6-9)10-2-3-12-7-13-10;;/h2-3,7-9H,4-6,11H2,1H3;2*1H/t8-,9-;;/m0../s1
InChIKeyQZCPWMYALRMDAT-CDEWPDHBSA-N
XLogP0.87
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methanamine;dihydrochloride?
The IUPAC name of [(2S,4S)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methanamine;dihydrochloride (CID 139023976) is [(2S,4S)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methanamine;dihydrochloride.
What is the SMILES notation for [(2S,4S)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methanamine;dihydrochloride?
The canonical SMILES for [(2S,4S)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methanamine;dihydrochloride is CO[C@H]1C[C@@H](CN)N(c2ccncn2)C1.Cl.Cl.
What is the InChIKey of [(2S,4S)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methanamine;dihydrochloride?
The InChIKey is QZCPWMYALRMDAT-CDEWPDHBSA-N. The full InChI is InChI=1S/C10H16N4O.2ClH/c1-15-9-4-8(5-11)14(6-9)10-2-3-12-7-13-10;;/h2-3,7-9H,4-6,11H2,1H3;2*1H/t8-,9-;;/m0../s1.
What are the key properties of [(2S,4S)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methanamine;dihydrochloride?
[(2S,4S)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methanamine;dihydrochloride has a molecular weight of 281.19 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methanamine;dihydrochloride is sourced from PubChem (CID 139023976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).