N-tert-butyl-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide

C16H22N4O2 — CID 138635366

IUPACN-tert-butyl-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NC(C)(C)C
InChIInChI=1S/C16H22N4O2/c1-9-10(13(21)20-15(2,3)4)11-12(19-16(5)6-7-16)17-8-18-14(11)22-9/h8H,6-7H2,1-5H3,(H,20,21)(H,17,18,19)
InChIKeyLMNGDDRMYSNKGS-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.02
Rot. Bonds3

About N-tert-butyl-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide

N-tert-butyl-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 138635366) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-tert-butyl-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID138635366
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-tert-butyl-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NC(C)(C)C
InChIInChI=1S/C16H22N4O2/c1-9-10(13(21)20-15(2,3)4)11-12(19-16(5)6-7-16)17-8-18-14(11)22-9/h8H,6-7H2,1-5H3,(H,20,21)(H,17,18,19)
InChIKeyLMNGDDRMYSNKGS-UHFFFAOYSA-N
XLogP3.02
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-tert-butyl-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (CID 138635366) is N-tert-butyl-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-tert-butyl-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-tert-butyl-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is LMNGDDRMYSNKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-9-10(13(21)20-15(2,3)4)11-12(19-16(5)6-7-16)17-8-18-14(11)22-9/h8H,6-7H2,1-5H3,(H,20,21)(H,17,18,19).
What are the key properties of N-tert-butyl-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
N-tert-butyl-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 138635366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).