(2S)-4-[[2-(propylamino)pyrimidin-5-yl]methyl]morpholine-2-carboxamide

C13H21N5O2 — CID 99929770

IUPAC(2S)-4-[[2-(propylamino)pyrimidin-5-yl]methyl]morpholine-2-carboxamide
SMILESCCCNc1ncc(CN2CCO[C@H](C(N)=O)C2)cn1
InChIInChI=1S/C13H21N5O2/c1-2-3-15-13-16-6-10(7-17-13)8-18-4-5-20-11(9-18)12(14)19/h6-7,11H,2-5,8-9H2,1H3,(H2,14,19)(H,15,16,17)/t11-/m0/s1
InChIKeyDLDBUXPDJWINGA-NSHDSACASA-N
MW279.34 g/mol
LogP-0.02
Rot. Bonds6

About (2S)-4-[[2-(propylamino)pyrimidin-5-yl]methyl]morpholine-2-carboxamide

(2S)-4-[[2-(propylamino)pyrimidin-5-yl]methyl]morpholine-2-carboxamide (PubChem CID 99929770) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S)-4-[[2-(propylamino)pyrimidin-5-yl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[[2-(propylamino)pyrimidin-5-yl]methyl]morpholine-2-carboxamide
PubChem CID99929770
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name(2S)-4-[[2-(propylamino)pyrimidin-5-yl]methyl]morpholine-2-carboxamide
SMILESCCCNc1ncc(CN2CCO[C@H](C(N)=O)C2)cn1
InChIInChI=1S/C13H21N5O2/c1-2-3-15-13-16-6-10(7-17-13)8-18-4-5-20-11(9-18)12(14)19/h6-7,11H,2-5,8-9H2,1H3,(H2,14,19)(H,15,16,17)/t11-/m0/s1
InChIKeyDLDBUXPDJWINGA-NSHDSACASA-N
XLogP-0.02
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[2-(propylamino)pyrimidin-5-yl]methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-[[2-(propylamino)pyrimidin-5-yl]methyl]morpholine-2-carboxamide (CID 99929770) is (2S)-4-[[2-(propylamino)pyrimidin-5-yl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[[2-(propylamino)pyrimidin-5-yl]methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[[2-(propylamino)pyrimidin-5-yl]methyl]morpholine-2-carboxamide is CCCNc1ncc(CN2CCO[C@H](C(N)=O)C2)cn1.
What is the InChIKey of (2S)-4-[[2-(propylamino)pyrimidin-5-yl]methyl]morpholine-2-carboxamide?
The InChIKey is DLDBUXPDJWINGA-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N5O2/c1-2-3-15-13-16-6-10(7-17-13)8-18-4-5-20-11(9-18)12(14)19/h6-7,11H,2-5,8-9H2,1H3,(H2,14,19)(H,15,16,17)/t11-/m0/s1.
What are the key properties of (2S)-4-[[2-(propylamino)pyrimidin-5-yl]methyl]morpholine-2-carboxamide?
(2S)-4-[[2-(propylamino)pyrimidin-5-yl]methyl]morpholine-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[2-(propylamino)pyrimidin-5-yl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 99929770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).