adamantan-1-ol;4-(2,2-dimethylpropyl)-2-methylpyrimidine-5-carboxamide

C21H33N3O2 — CID 143881495

IUPACadamantan-1-ol;4-(2,2-dimethylpropyl)-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(N)=O)c(CC(C)(C)C)n1.OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H17N3O.C10H16O/c1-7-13-6-8(10(12)15)9(14-7)5-11(2,3)4;11-10-4-7-1-8(5-10)3-9(2-7)6-10/h6H,5H2,1-4H3,(H2,12,15);7-9,11H,1-6H2
InChIKeyALLGXDUZQQPVSB-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.42
Rot. Bonds2

About adamantan-1-ol;4-(2,2-dimethylpropyl)-2-methylpyrimidine-5-carboxamide

adamantan-1-ol;4-(2,2-dimethylpropyl)-2-methylpyrimidine-5-carboxamide (PubChem CID 143881495) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is adamantan-1-ol;4-(2,2-dimethylpropyl)-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Nameadamantan-1-ol;4-(2,2-dimethylpropyl)-2-methylpyrimidine-5-carboxamide
PubChem CID143881495
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Nameadamantan-1-ol;4-(2,2-dimethylpropyl)-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(N)=O)c(CC(C)(C)C)n1.OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H17N3O.C10H16O/c1-7-13-6-8(10(12)15)9(14-7)5-11(2,3)4;11-10-4-7-1-8(5-10)3-9(2-7)6-10/h6H,5H2,1-4H3,(H2,12,15);7-9,11H,1-6H2
InChIKeyALLGXDUZQQPVSB-UHFFFAOYSA-N
XLogP3.42
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of adamantan-1-ol;4-(2,2-dimethylpropyl)-2-methylpyrimidine-5-carboxamide?
The IUPAC name of adamantan-1-ol;4-(2,2-dimethylpropyl)-2-methylpyrimidine-5-carboxamide (CID 143881495) is adamantan-1-ol;4-(2,2-dimethylpropyl)-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for adamantan-1-ol;4-(2,2-dimethylpropyl)-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for adamantan-1-ol;4-(2,2-dimethylpropyl)-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(N)=O)c(CC(C)(C)C)n1.OC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of adamantan-1-ol;4-(2,2-dimethylpropyl)-2-methylpyrimidine-5-carboxamide?
The InChIKey is ALLGXDUZQQPVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.C10H16O/c1-7-13-6-8(10(12)15)9(14-7)5-11(2,3)4;11-10-4-7-1-8(5-10)3-9(2-7)6-10/h6H,5H2,1-4H3,(H2,12,15);7-9,11H,1-6H2.
What are the key properties of adamantan-1-ol;4-(2,2-dimethylpropyl)-2-methylpyrimidine-5-carboxamide?
adamantan-1-ol;4-(2,2-dimethylpropyl)-2-methylpyrimidine-5-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for adamantan-1-ol;4-(2,2-dimethylpropyl)-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 143881495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).