1-(2-amino-5-chloropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide

C10H14ClN5O — CID 80806767

IUPAC1-(2-amino-5-chloropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nc(N)ncc1Cl
InChIInChI=1S/C10H14ClN5O/c1-13-9(17)7-3-2-4-16(7)8-6(11)5-14-10(12)15-8/h5,7H,2-4H2,1H3,(H,13,17)(H2,12,14,15)
InChIKeyBXFHWTHBSMXTBR-UHFFFAOYSA-N
MW255.71 g/mol
LogP0.43
Rot. Bonds2

About 1-(2-amino-5-chloropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide

1-(2-amino-5-chloropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 80806767) has the molecular formula C10H14ClN5O and a molecular weight of 255.71 g/mol. Its IUPAC name is 1-(2-amino-5-chloropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-chloropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
PubChem CID80806767
Molecular FormulaC10H14ClN5O
Molecular Weight255.71 g/mol
Exact Mass255.09
IUPAC Name1-(2-amino-5-chloropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nc(N)ncc1Cl
InChIInChI=1S/C10H14ClN5O/c1-13-9(17)7-3-2-4-16(7)8-6(11)5-14-10(12)15-8/h5,7H,2-4H2,1H3,(H,13,17)(H2,12,14,15)
InChIKeyBXFHWTHBSMXTBR-UHFFFAOYSA-N
XLogP0.43
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-Chloropyrimidin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 71971823
1-(6-Chloropyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 54592642
(2S)-2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopentylpropanamide
CID 97589744
(3S)-3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 97599144
(3S)-1-(5-chloropyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide
CID 129620841
2-[(5-chloropyrimidin-2-yl)amino]-N-cyclohexylacetamide
CID 136512352
(7S,8aS)-7-{[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino}-2-methylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 137334660
(2S)-1-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 164633585
(5S)-1-(2-chloro-5-fluoropyrimidin-4-yl)-5-propan-2-ylimidazolidine-2,4-dione
CID 141492790
(2R,4S)-N-(2-chloropyrimidin-5-yl)-4-fluoropyrrolidine-2-carboxamide
CID 172371943
1-(2-Chloro-5-fluoropyrimidin-4-yl)-5-propan-2-ylimidazolidine-2,4-dione
CID 175313862
(2R)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidine-2-carboxamide
CID 175925266

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-amino-5-chloropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide (CID 80806767) is 1-(2-amino-5-chloropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-5-chloropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-5-chloropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1nc(N)ncc1Cl.
What is the InChIKey of 1-(2-amino-5-chloropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is BXFHWTHBSMXTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O/c1-13-9(17)7-3-2-4-16(7)8-6(11)5-14-10(12)15-8/h5,7H,2-4H2,1H3,(H,13,17)(H2,12,14,15).
What are the key properties of 1-(2-amino-5-chloropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
1-(2-amino-5-chloropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 255.71 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chloropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 80806767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).