N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]pyrimidin-2-yl]formamide

C16H19N5O2 — CID 123204622

IUPACN-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]pyrimidin-2-yl]formamide
SMILESO=CNc1nccc(-c2cccc(NCC3CCOCC3)n2)n1
InChIInChI=1S/C16H19N5O2/c22-11-19-16-17-7-4-14(21-16)13-2-1-3-15(20-13)18-10-12-5-8-23-9-6-12/h1-4,7,11-12H,5-6,8-10H2,(H,18,20)(H,17,19,21,22)
InChIKeyMBOFDDILJIGNEC-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.95
Rot. Bonds6

About N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]pyrimidin-2-yl]formamide

N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]pyrimidin-2-yl]formamide (PubChem CID 123204622) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]pyrimidin-2-yl]formamide.

Molecular Properties

Compound NameN-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]pyrimidin-2-yl]formamide
PubChem CID123204622
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]pyrimidin-2-yl]formamide
SMILESO=CNc1nccc(-c2cccc(NCC3CCOCC3)n2)n1
InChIInChI=1S/C16H19N5O2/c22-11-19-16-17-7-4-14(21-16)13-2-1-3-15(20-13)18-10-12-5-8-23-9-6-12/h1-4,7,11-12H,5-6,8-10H2,(H,18,20)(H,17,19,21,22)
InChIKeyMBOFDDILJIGNEC-UHFFFAOYSA-N
XLogP1.95
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]pyrimidin-2-yl]formamide?
The IUPAC name of N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]pyrimidin-2-yl]formamide (CID 123204622) is N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]pyrimidin-2-yl]formamide.
What is the SMILES notation for N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]pyrimidin-2-yl]formamide?
The canonical SMILES for N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]pyrimidin-2-yl]formamide is O=CNc1nccc(-c2cccc(NCC3CCOCC3)n2)n1.
What is the InChIKey of N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]pyrimidin-2-yl]formamide?
The InChIKey is MBOFDDILJIGNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c22-11-19-16-17-7-4-14(21-16)13-2-1-3-15(20-13)18-10-12-5-8-23-9-6-12/h1-4,7,11-12H,5-6,8-10H2,(H,18,20)(H,17,19,21,22).
What are the key properties of N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]pyrimidin-2-yl]formamide?
N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]pyrimidin-2-yl]formamide has a molecular weight of 313.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]pyrimidin-2-yl]formamide is sourced from PubChem (CID 123204622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).