N-[5-(aminomethyl)-2-methylpyrimidin-4-yl]formamide

C7H10N4O — CID 90689064

IUPACN-[5-(aminomethyl)-2-methylpyrimidin-4-yl]formamide
SMILESCc1ncc(CN)c(NC=O)n1
InChIInChI=1S/C7H10N4O/c1-5-9-3-6(2-8)7(11-5)10-4-12/h3-4H,2,8H2,1H3,(H,9,10,11,12)
InChIKeySHLGCYZSAXSERR-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.19
Rot. Bonds3

About N-[5-(aminomethyl)-2-methylpyrimidin-4-yl]formamide

N-[5-(aminomethyl)-2-methylpyrimidin-4-yl]formamide (PubChem CID 90689064) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-methylpyrimidin-4-yl]formamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-methylpyrimidin-4-yl]formamide
PubChem CID90689064
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC NameN-[5-(aminomethyl)-2-methylpyrimidin-4-yl]formamide
SMILESCc1ncc(CN)c(NC=O)n1
InChIInChI=1S/C7H10N4O/c1-5-9-3-6(2-8)7(11-5)10-4-12/h3-4H,2,8H2,1H3,(H,9,10,11,12)
InChIKeySHLGCYZSAXSERR-UHFFFAOYSA-N
XLogP-0.19
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[5-(aminomethyl)-2-methylpyrimidin-4-yl]formamide?
The IUPAC name of N-[5-(aminomethyl)-2-methylpyrimidin-4-yl]formamide (CID 90689064) is N-[5-(aminomethyl)-2-methylpyrimidin-4-yl]formamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-methylpyrimidin-4-yl]formamide?
The canonical SMILES for N-[5-(aminomethyl)-2-methylpyrimidin-4-yl]formamide is Cc1ncc(CN)c(NC=O)n1.
What is the InChIKey of N-[5-(aminomethyl)-2-methylpyrimidin-4-yl]formamide?
The InChIKey is SHLGCYZSAXSERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-5-9-3-6(2-8)7(11-5)10-4-12/h3-4H,2,8H2,1H3,(H,9,10,11,12).
What are the key properties of N-[5-(aminomethyl)-2-methylpyrimidin-4-yl]formamide?
N-[5-(aminomethyl)-2-methylpyrimidin-4-yl]formamide has a molecular weight of 166.18 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-methylpyrimidin-4-yl]formamide is sourced from PubChem (CID 90689064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).