(2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide

C10H15N5O — CID 70907638

IUPAC(2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide
SMILESCc1nc(C)nc(N2CCC[C@H]2C(N)=O)n1
InChIInChI=1S/C10H15N5O/c1-6-12-7(2)14-10(13-6)15-5-3-4-8(15)9(11)16/h8H,3-5H2,1-2H3,(H2,11,16)/t8-/m0/s1
InChIKeyPEILWNJCVBEKFD-QMMMGPOBSA-N
MW221.26 g/mol
LogP-0.06
Rot. Bonds2

About (2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide

(2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 70907638) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is (2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide
PubChem CID70907638
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name(2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide
SMILESCc1nc(C)nc(N2CCC[C@H]2C(N)=O)n1
InChIInChI=1S/C10H15N5O/c1-6-12-7(2)14-10(13-6)15-5-3-4-8(15)9(11)16/h8H,3-5H2,1-2H3,(H2,11,16)/t8-/m0/s1
InChIKeyPEILWNJCVBEKFD-QMMMGPOBSA-N
XLogP-0.06
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(4-amino-6-ethyl-1,3,5-triazin-2-yl)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide
CID 167860504
3-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]-5-propylimidazolidine-2,4-dione
CID 22108669
(2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 59474157
(2S)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide
CID 59474177
(2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide
CID 59474208
1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 70672911
1-(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide
CID 70672913
1-[4-(Dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide
CID 70672915
1-(4,6-Dimethyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide
CID 70907636
1-[4-(Dimethylamino)-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide
CID 89796576
(2S)-1-[4-(dimethylamino)-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide
CID 89796577
1-(4-Chloro-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide
CID 89796599

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide (CID 70907638) is (2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide is Cc1nc(C)nc(N2CCC[C@H]2C(N)=O)n1.
What is the InChIKey of (2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is PEILWNJCVBEKFD-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N5O/c1-6-12-7(2)14-10(13-6)15-5-3-4-8(15)9(11)16/h8H,3-5H2,1-2H3,(H2,11,16)/t8-/m0/s1.
What are the key properties of (2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide?
(2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 221.26 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 70907638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).