2-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]ethanimidamide

C14H19N7 — CID 146539577

IUPAC2-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]ethanimidamide
SMILES[H]/N=C(\N)CC1CCCN(c2ccc3ncnc(N)c3n2)C1
InChIInChI=1S/C14H19N7/c15-11(16)6-9-2-1-5-21(7-9)12-4-3-10-13(20-12)14(17)19-8-18-10/h3-4,8-9H,1-2,5-7H2,(H3,15,16)(H2,17,18,19)
InChIKeyDTOYETOPCVUBBO-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.15
Rot. Bonds3

About 2-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]ethanimidamide

2-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]ethanimidamide (PubChem CID 146539577) has the molecular formula C14H19N7 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]ethanimidamide.

Molecular Properties

Compound Name2-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]ethanimidamide
PubChem CID146539577
Molecular FormulaC14H19N7
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name2-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]ethanimidamide
SMILES[H]/N=C(\N)CC1CCCN(c2ccc3ncnc(N)c3n2)C1
InChIInChI=1S/C14H19N7/c15-11(16)6-9-2-1-5-21(7-9)12-4-3-10-13(20-12)14(17)19-8-18-10/h3-4,8-9H,1-2,5-7H2,(H3,15,16)(H2,17,18,19)
InChIKeyDTOYETOPCVUBBO-UHFFFAOYSA-N
XLogP1.15
TPSA117.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

6-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 90016593
6-(3-methoxypiperidin-1-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 90016691
6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]pyridine-2-carboxamide
CID 90016640
6-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 90016695
6-[3-(1,2-oxazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 175964602
6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 90016788
6-[3-(1,4-dimethylpyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 90017067
6-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 90055012
2-[(3S)-1-(8-bromoquinolin-2-yl)piperidin-3-yl]acetamide
CID 97079700
2-[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]acetamide
CID 133356012
[1-(5-amino-6-ethoxy-2-pyridinyl)piperidin-3-yl]methanol
CID 43590236
2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107229203

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]ethanimidamide?
The IUPAC name of 2-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]ethanimidamide (CID 146539577) is 2-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]ethanimidamide.
What is the SMILES notation for 2-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]ethanimidamide?
The canonical SMILES for 2-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]ethanimidamide is [H]/N=C(\N)CC1CCCN(c2ccc3ncnc(N)c3n2)C1.
What is the InChIKey of 2-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]ethanimidamide?
The InChIKey is DTOYETOPCVUBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7/c15-11(16)6-9-2-1-5-21(7-9)12-4-3-10-13(20-12)14(17)19-8-18-10/h3-4,8-9H,1-2,5-7H2,(H3,15,16)(H2,17,18,19).
What are the key properties of 2-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]ethanimidamide?
2-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]ethanimidamide has a molecular weight of 285.35 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]ethanimidamide is sourced from PubChem (CID 146539577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).