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

C22H28N4O2 — CID 138635183

IUPACN-(2-adamantyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H28N4O2/c1-11-16(17-19(26-22(2)3-4-22)23-10-24-21(17)28-11)20(27)25-18-14-6-12-5-13(8-14)9-15(18)7-12/h10,12-15,18H,3-9H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeySXXLDJBTTZAQGH-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.05
Rot. Bonds4

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

N-(2-adamantyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 138635183) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(2-adamantyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID138635183
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-(2-adamantyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H28N4O2/c1-11-16(17-19(26-22(2)3-4-22)23-10-24-21(17)28-11)20(27)25-18-14-6-12-5-13(8-14)9-15(18)7-12/h10,12-15,18H,3-9H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeySXXLDJBTTZAQGH-UHFFFAOYSA-N
XLogP4.05
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-adamantyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (CID 138635183) is N-(2-adamantyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-adamantyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is SXXLDJBTTZAQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-11-16(17-19(26-22(2)3-4-22)23-10-24-21(17)28-11)20(27)25-18-14-6-12-5-13(8-14)9-15(18)7-12/h10,12-15,18H,3-9H2,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(2-adamantyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
N-(2-adamantyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 138635183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).