N-[(2R)-butan-2-yl]-3-[(2-tert-butylpyrimidin-5-yl)carbamoylamino]propanamide

C16H27N5O2 — CID 95300949

IUPACN-[(2R)-butan-2-yl]-3-[(2-tert-butylpyrimidin-5-yl)carbamoylamino]propanamide
SMILESCC[C@@H](C)NC(=O)CCNC(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C16H27N5O2/c1-6-11(2)20-13(22)7-8-17-15(23)21-12-9-18-14(19-10-12)16(3,4)5/h9-11H,6-8H2,1-5H3,(H,20,22)(H2,17,21,23)/t11-/m1/s1
InChIKeyLMDXNNFBJOEJLY-LLVKDONJSA-N
MW321.43 g/mol
LogP2.20
Rot. Bonds6

About N-[(2R)-butan-2-yl]-3-[(2-tert-butylpyrimidin-5-yl)carbamoylamino]propanamide

N-[(2R)-butan-2-yl]-3-[(2-tert-butylpyrimidin-5-yl)carbamoylamino]propanamide (PubChem CID 95300949) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-[(2-tert-butylpyrimidin-5-yl)carbamoylamino]propanamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-[(2-tert-butylpyrimidin-5-yl)carbamoylamino]propanamide
PubChem CID95300949
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-[(2R)-butan-2-yl]-3-[(2-tert-butylpyrimidin-5-yl)carbamoylamino]propanamide
SMILESCC[C@@H](C)NC(=O)CCNC(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C16H27N5O2/c1-6-11(2)20-13(22)7-8-17-15(23)21-12-9-18-14(19-10-12)16(3,4)5/h9-11H,6-8H2,1-5H3,(H,20,22)(H2,17,21,23)/t11-/m1/s1
InChIKeyLMDXNNFBJOEJLY-LLVKDONJSA-N
XLogP2.20
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]urea
CID 97215845
1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424877
1-(2-tert-butylpyrimidin-5-yl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 111103718
1-(2-tert-butylpyrimidin-5-yl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111431544
1-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 75373143
4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide
CID 120561407
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide
CID 63872452
1-(2-tert-butylpyrimidin-5-yl)-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 127751996
N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide
CID 60964838
3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide
CID 61022348
1-(2-tert-butylpyrimidin-5-yl)-3-[(1-methylsulfanylcyclopropyl)methyl]urea
CID 119050388

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-[(2-tert-butylpyrimidin-5-yl)carbamoylamino]propanamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-[(2-tert-butylpyrimidin-5-yl)carbamoylamino]propanamide (CID 95300949) is N-[(2R)-butan-2-yl]-3-[(2-tert-butylpyrimidin-5-yl)carbamoylamino]propanamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-[(2-tert-butylpyrimidin-5-yl)carbamoylamino]propanamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-[(2-tert-butylpyrimidin-5-yl)carbamoylamino]propanamide is CC[C@@H](C)NC(=O)CCNC(=O)Nc1cnc(C(C)(C)C)nc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-[(2-tert-butylpyrimidin-5-yl)carbamoylamino]propanamide?
The InChIKey is LMDXNNFBJOEJLY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-6-11(2)20-13(22)7-8-17-15(23)21-12-9-18-14(19-10-12)16(3,4)5/h9-11H,6-8H2,1-5H3,(H,20,22)(H2,17,21,23)/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-[(2-tert-butylpyrimidin-5-yl)carbamoylamino]propanamide?
N-[(2R)-butan-2-yl]-3-[(2-tert-butylpyrimidin-5-yl)carbamoylamino]propanamide has a molecular weight of 321.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-[(2-tert-butylpyrimidin-5-yl)carbamoylamino]propanamide is sourced from PubChem (CID 95300949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).