2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide

C10H15N5O — CID 107550740

IUPAC2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCC(OC)C2)n1
InChIInChI=1S/C10H15N5O/c1-16-7-3-5-15(6-7)10-13-4-2-8(14-10)9(11)12/h2,4,7H,3,5-6H2,1H3,(H3,11,12)
InChIKeyNZMWIBHRHKZMOK-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.01
Rot. Bonds3

About 2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide

2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide (PubChem CID 107550740) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide
PubChem CID107550740
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCC(OC)C2)n1
InChIInChI=1S/C10H15N5O/c1-16-7-3-5-15(6-7)10-13-4-2-8(14-10)9(11)12/h2,4,7H,3,5-6H2,1H3,(H3,11,12)
InChIKeyNZMWIBHRHKZMOK-UHFFFAOYSA-N
XLogP-0.01
TPSA88.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550685
2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-4-carboximidamide
CID 107550482
2-(3-ethoxypiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550313
[2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542321
2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550631
2-(4-tert-butylazepan-1-yl)pyrimidine-4-carboximidamide
CID 107550546
N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide
CID 136986695
4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
CID 103534085
2-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550754
4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine
CID 103541763
2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 103534087
4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 102958415

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide?
The IUPAC name of 2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide (CID 107550740) is 2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide?
The canonical SMILES for 2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N2CCC(OC)C2)n1.
What is the InChIKey of 2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide?
The InChIKey is NZMWIBHRHKZMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-16-7-3-5-15(6-7)10-13-4-2-8(14-10)9(11)12/h2,4,7H,3,5-6H2,1H3,(H3,11,12).
What are the key properties of 2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide?
2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide has a molecular weight of 221.26 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide is sourced from PubChem (CID 107550740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).