4-amino-2-(furan-2-yl)-6-[(2S)-2-hydroxypropoxy]-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide

C19H21N5O4 — CID 147319722

IUPAC4-amino-2-(furan-2-yl)-6-[(2S)-2-hydroxypropoxy]-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide
SMILESCc1cccnc1CNC(=O)c1c(N)nc(-c2ccco2)nc1OC[C@H](C)O
InChIInChI=1S/C19H21N5O4/c1-11-5-3-7-21-13(11)9-22-18(26)15-16(20)23-17(14-6-4-8-27-14)24-19(15)28-10-12(2)25/h3-8,12,25H,9-10H2,1-2H3,(H,22,26)(H2,20,23,24)/t12-/m0/s1
InChIKeyCZOGJFVDQVTTBG-LBPRGKRZSA-N
MW383.41 g/mol
LogP1.71
Rot. Bonds7

About 4-amino-2-(furan-2-yl)-6-[(2S)-2-hydroxypropoxy]-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide

4-amino-2-(furan-2-yl)-6-[(2S)-2-hydroxypropoxy]-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide (PubChem CID 147319722) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 4-amino-2-(furan-2-yl)-6-[(2S)-2-hydroxypropoxy]-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(furan-2-yl)-6-[(2S)-2-hydroxypropoxy]-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide
PubChem CID147319722
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name4-amino-2-(furan-2-yl)-6-[(2S)-2-hydroxypropoxy]-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide
SMILESCc1cccnc1CNC(=O)c1c(N)nc(-c2ccco2)nc1OC[C@H](C)O
InChIInChI=1S/C19H21N5O4/c1-11-5-3-7-21-13(11)9-22-18(26)15-16(20)23-17(14-6-4-8-27-14)24-19(15)28-10-12(2)25/h3-8,12,25H,9-10H2,1-2H3,(H,22,26)(H2,20,23,24)/t12-/m0/s1
InChIKeyCZOGJFVDQVTTBG-LBPRGKRZSA-N
XLogP1.71
TPSA136.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(furan-2-yl)-6-[(2S)-2-hydroxypropoxy]-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(furan-2-yl)-6-[(2S)-2-hydroxypropoxy]-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide (CID 147319722) is 4-amino-2-(furan-2-yl)-6-[(2S)-2-hydroxypropoxy]-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(furan-2-yl)-6-[(2S)-2-hydroxypropoxy]-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(furan-2-yl)-6-[(2S)-2-hydroxypropoxy]-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide is Cc1cccnc1CNC(=O)c1c(N)nc(-c2ccco2)nc1OC[C@H](C)O.
What is the InChIKey of 4-amino-2-(furan-2-yl)-6-[(2S)-2-hydroxypropoxy]-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is CZOGJFVDQVTTBG-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-11-5-3-7-21-13(11)9-22-18(26)15-16(20)23-17(14-6-4-8-27-14)24-19(15)28-10-12(2)25/h3-8,12,25H,9-10H2,1-2H3,(H,22,26)(H2,20,23,24)/t12-/m0/s1.
What are the key properties of 4-amino-2-(furan-2-yl)-6-[(2S)-2-hydroxypropoxy]-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide?
4-amino-2-(furan-2-yl)-6-[(2S)-2-hydroxypropoxy]-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(furan-2-yl)-6-[(2S)-2-hydroxypropoxy]-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 147319722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).