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

C16H20N4O2 — CID 170207943

IUPACN-cyclopropyl-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N(C)C1CC1
InChIInChI=1S/C16H20N4O2/c1-9-11(15(21)20(3)10-4-5-10)12-13(19-16(2)6-7-16)17-8-18-14(12)22-9/h8,10H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyJMEMURBUROKHJC-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.73
Rot. Bonds4

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

N-cyclopropyl-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 170207943) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-cyclopropyl-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID170207943
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-cyclopropyl-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N(C)C1CC1
InChIInChI=1S/C16H20N4O2/c1-9-11(15(21)20(3)10-4-5-10)12-13(19-16(2)6-7-16)17-8-18-14(12)22-9/h8,10H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyJMEMURBUROKHJC-UHFFFAOYSA-N
XLogP2.73
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopropyl-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (CID 170207943) is N-cyclopropyl-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N(C)C1CC1.
What is the InChIKey of N-cyclopropyl-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is JMEMURBUROKHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-9-11(15(21)20(3)10-4-5-10)12-13(19-16(2)6-7-16)17-8-18-14(12)22-9/h8,10H,4-7H2,1-3H3,(H,17,18,19).
What are the key properties of N-cyclopropyl-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
N-cyclopropyl-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 170207943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).