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

C19H21FN6O2 — CID 170209809

IUPACN-[[4-(1-fluoroethyl)pyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCc1nccc(C(C)F)n1
InChIInChI=1S/C19H21FN6O2/c1-10(20)12-4-7-21-13(25-12)8-22-17(27)14-11(2)28-18-15(14)16(23-9-24-18)26-19(3)5-6-19/h4,7,9-10H,5-6,8H2,1-3H3,(H,22,27)(H,23,24,26)
InChIKeyYXPAYXAUOKJYSD-UHFFFAOYSA-N
MW384.42 g/mol
LogP3.25
Rot. Bonds6

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

N-[[4-(1-fluoroethyl)pyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 170209809) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is N-[[4-(1-fluoroethyl)pyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(1-fluoroethyl)pyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID170209809
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC NameN-[[4-(1-fluoroethyl)pyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCc1nccc(C(C)F)n1
InChIInChI=1S/C19H21FN6O2/c1-10(20)12-4-7-21-13(25-12)8-22-17(27)14-11(2)28-18-15(14)16(23-9-24-18)26-19(3)5-6-19/h4,7,9-10H,5-6,8H2,1-3H3,(H,22,27)(H,23,24,26)
InChIKeyYXPAYXAUOKJYSD-UHFFFAOYSA-N
XLogP3.25
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-fluoroethyl)pyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[[4-(1-fluoroethyl)pyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (CID 170209809) is N-[[4-(1-fluoroethyl)pyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[4-(1-fluoroethyl)pyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[[4-(1-fluoroethyl)pyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCc1nccc(C(C)F)n1.
What is the InChIKey of N-[[4-(1-fluoroethyl)pyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is YXPAYXAUOKJYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-10(20)12-4-7-21-13(25-12)8-22-17(27)14-11(2)28-18-15(14)16(23-9-24-18)26-19(3)5-6-19/h4,7,9-10H,5-6,8H2,1-3H3,(H,22,27)(H,23,24,26).
What are the key properties of N-[[4-(1-fluoroethyl)pyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
N-[[4-(1-fluoroethyl)pyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 384.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-fluoroethyl)pyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 170209809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).