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

C19H24N6O2 — CID 170209756

IUPACN,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(2-methyl-1,4-dihydropyrimidin-6-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCC1=NCC=C(CN(C)C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)N1
InChIInChI=1S/C19H24N6O2/c1-11-14(18(26)25(4)9-13-5-8-20-12(2)23-13)15-16(24-19(3)6-7-19)21-10-22-17(15)27-11/h5,10H,6-9H2,1-4H3,(H,20,23)(H,21,22,24)
InChIKeyTUGOVWYPGQSRTM-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.47
Rot. Bonds5

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

N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(2-methyl-1,4-dihydropyrimidin-6-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 170209756) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(2-methyl-1,4-dihydropyrimidin-6-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(2-methyl-1,4-dihydropyrimidin-6-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID170209756
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(2-methyl-1,4-dihydropyrimidin-6-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCC1=NCC=C(CN(C)C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)N1
InChIInChI=1S/C19H24N6O2/c1-11-14(18(26)25(4)9-13-5-8-20-12(2)23-13)15-16(24-19(3)6-7-19)21-10-22-17(15)27-11/h5,10H,6-9H2,1-4H3,(H,20,23)(H,21,22,24)
InChIKeyTUGOVWYPGQSRTM-UHFFFAOYSA-N
XLogP2.47
TPSA95.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(2-methyl-1,4-dihydropyrimidin-6-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(2-methyl-1,4-dihydropyrimidin-6-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide (CID 170209756) is N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(2-methyl-1,4-dihydropyrimidin-6-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(2-methyl-1,4-dihydropyrimidin-6-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(2-methyl-1,4-dihydropyrimidin-6-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide is CC1=NCC=C(CN(C)C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)N1.
What is the InChIKey of N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(2-methyl-1,4-dihydropyrimidin-6-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is TUGOVWYPGQSRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-11-14(18(26)25(4)9-13-5-8-20-12(2)23-13)15-16(24-19(3)6-7-19)21-10-22-17(15)27-11/h5,10H,6-9H2,1-4H3,(H,20,23)(H,21,22,24).
What are the key properties of N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(2-methyl-1,4-dihydropyrimidin-6-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide?
N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(2-methyl-1,4-dihydropyrimidin-6-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(2-methyl-1,4-dihydropyrimidin-6-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 170209756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).