2-amino-N-cyclohexyl-4-methoxy-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide

C16H25N5O2 — CID 118389332

IUPAC2-amino-N-cyclohexyl-4-methoxy-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCOc1nc(N)nc2c1C(C)(C)N(C(=O)NC1CCCCC1)C2
InChIInChI=1S/C16H25N5O2/c1-16(2)12-11(19-14(17)20-13(12)23-3)9-21(16)15(22)18-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,18,22)(H2,17,19,20)
InChIKeyLKTVZDUDPNUMJS-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.16
Rot. Bonds2

About 2-amino-N-cyclohexyl-4-methoxy-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide

2-amino-N-cyclohexyl-4-methoxy-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 118389332) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-amino-N-cyclohexyl-4-methoxy-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclohexyl-4-methoxy-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID118389332
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name2-amino-N-cyclohexyl-4-methoxy-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCOc1nc(N)nc2c1C(C)(C)N(C(=O)NC1CCCCC1)C2
InChIInChI=1S/C16H25N5O2/c1-16(2)12-11(19-14(17)20-13(12)23-3)9-21(16)15(22)18-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,18,22)(H2,17,19,20)
InChIKeyLKTVZDUDPNUMJS-UHFFFAOYSA-N
XLogP2.16
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclohexyl-4-methoxy-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-N-cyclohexyl-4-methoxy-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 118389332) is 2-amino-N-cyclohexyl-4-methoxy-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-N-cyclohexyl-4-methoxy-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-N-cyclohexyl-4-methoxy-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide is COc1nc(N)nc2c1C(C)(C)N(C(=O)NC1CCCCC1)C2.
What is the InChIKey of 2-amino-N-cyclohexyl-4-methoxy-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is LKTVZDUDPNUMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-16(2)12-11(19-14(17)20-13(12)23-3)9-21(16)15(22)18-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,18,22)(H2,17,19,20).
What are the key properties of 2-amino-N-cyclohexyl-4-methoxy-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide?
2-amino-N-cyclohexyl-4-methoxy-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclohexyl-4-methoxy-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 118389332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).