N-[(2S)-butan-2-yl]-3-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propanamide

C14H25N5O — CID 136905592

IUPACN-[(2S)-butan-2-yl]-3-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propanamide
SMILESCC[C@H](C)NC(=O)CCNC[C@H]1CNc2ccnn2C1
InChIInChI=1S/C14H25N5O/c1-3-11(2)18-14(20)5-6-15-8-12-9-16-13-4-7-17-19(13)10-12/h4,7,11-12,15-16H,3,5-6,8-10H2,1-2H3,(H,18,20)/t11-,12-/m0/s1
InChIKeyJYEHFJICKHPKDG-RYUDHWBXSA-N
MW279.39 g/mol
LogP0.82
Rot. Bonds7

About N-[(2S)-butan-2-yl]-3-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propanamide

N-[(2S)-butan-2-yl]-3-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propanamide (PubChem CID 136905592) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propanamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propanamide
PubChem CID136905592
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-[(2S)-butan-2-yl]-3-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propanamide
SMILESCC[C@H](C)NC(=O)CCNC[C@H]1CNc2ccnn2C1
InChIInChI=1S/C14H25N5O/c1-3-11(2)18-14(20)5-6-15-8-12-9-16-13-4-7-17-19(13)10-12/h4,7,11-12,15-16H,3,5-6,8-10H2,1-2H3,(H,18,20)/t11-,12-/m0/s1
InChIKeyJYEHFJICKHPKDG-RYUDHWBXSA-N
XLogP0.82
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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(2R)-2-[(4-chlorophenyl)methyl]-3-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol
CID 136905608
N-butan-2-yl-3-(1,3-thiazol-2-ylmethylamino)propanamide
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4-[[[3-(butan-2-ylamino)-3-oxopropyl]amino]methyl]-2-fluorobenzoic acid
CID 106699780
N-butan-2-yl-3-[(2-cyano-4-pyridinyl)methylamino]propanamide
CID 63883080
N-butan-2-yl-3-(2-phenylpropylamino)propanamide
CID 54893679
N-butan-2-yl-3-[(4-chlorophenyl)methylamino]propanamide
CID 54893832
N-butan-2-yl-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propanamide
CID 61022339

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propanamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propanamide (CID 136905592) is N-[(2S)-butan-2-yl]-3-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propanamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propanamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propanamide is CC[C@H](C)NC(=O)CCNC[C@H]1CNc2ccnn2C1.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propanamide?
The InChIKey is JYEHFJICKHPKDG-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-11(2)18-14(20)5-6-15-8-12-9-16-13-4-7-17-19(13)10-12/h4,7,11-12,15-16H,3,5-6,8-10H2,1-2H3,(H,18,20)/t11-,12-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propanamide?
N-[(2S)-butan-2-yl]-3-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propanamide has a molecular weight of 279.39 g/mol, XLogP of 0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propanamide is sourced from PubChem (CID 136905592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).