(2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide

C15H25N5O — CID 61179360

IUPAC(2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C15H25N5O/c1-3-11(2)13(16)14(21)19-12-6-4-9-20(10-12)15-17-7-5-8-18-15/h5,7-8,11-13H,3-4,6,9-10,16H2,1-2H3,(H,19,21)/t11-,12?,13-/m0/s1
InChIKeyCUXDTFNWQDASHA-RXTYADHFSA-N
MW291.40 g/mol
LogP0.94
Rot. Bonds5

About (2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide

(2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide (PubChem CID 61179360) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide
PubChem CID61179360
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C15H25N5O/c1-3-11(2)13(16)14(21)19-12-6-4-9-20(10-12)15-17-7-5-8-18-15/h5,7-8,11-13H,3-4,6,9-10,16H2,1-2H3,(H,19,21)/t11-,12?,13-/m0/s1
InChIKeyCUXDTFNWQDASHA-RXTYADHFSA-N
XLogP0.94
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
(2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide
CID 61172472
(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119857933
3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride
CID 120503187
2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 65224744
2-ethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 60793288
(2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 95134540
N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide
CID 51089111
tert-butyl N-[(2R)-1-oxo-1-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]amino]propan-2-yl]carbamate
CID 94518257
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875
4-acetyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,4-diazepane-1-carboxamide
CID 94031653

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide (CID 61179360) is (2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide is CC[C@H](C)[C@H](N)C(=O)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide?
The InChIKey is CUXDTFNWQDASHA-RXTYADHFSA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-11(2)13(16)14(21)19-12-6-4-9-20(10-12)15-17-7-5-8-18-15/h5,7-8,11-13H,3-4,6,9-10,16H2,1-2H3,(H,19,21)/t11-,12?,13-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide?
(2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide has a molecular weight of 291.40 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide is sourced from PubChem (CID 61179360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).