(2R)-2-amino-5-[[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]-N-phenylpentanamide

C20H21N9O — CID 42610638

IUPAC(2R)-2-amino-5-[[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]-N-phenylpentanamide
SMILESN#Cc1cnc(Nc2cc(NCCC[C@@H](N)C(=O)Nc3ccccc3)ncn2)cn1
InChIInChI=1S/C20H21N9O/c21-10-15-11-25-19(12-24-15)29-18-9-17(26-13-27-18)23-8-4-7-16(22)20(30)28-14-5-2-1-3-6-14/h1-3,5-6,9,11-13,16H,4,7-8,22H2,(H,28,30)(H2,23,25,26,27,29)/t16-/m1/s1
InChIKeyVNMNSCZQXMAAEN-MRXNPFEDSA-N
MW403.45 g/mol
LogP2.04
Rot. Bonds9

About (2R)-2-amino-5-[[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]-N-phenylpentanamide

(2R)-2-amino-5-[[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]-N-phenylpentanamide (PubChem CID 42610638) has the molecular formula C20H21N9O and a molecular weight of 403.45 g/mol. Its IUPAC name is (2R)-2-amino-5-[[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]-N-phenylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-5-[[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]-N-phenylpentanamide
PubChem CID42610638
Molecular FormulaC20H21N9O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name(2R)-2-amino-5-[[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]-N-phenylpentanamide
SMILESN#Cc1cnc(Nc2cc(NCCC[C@@H](N)C(=O)Nc3ccccc3)ncn2)cn1
InChIInChI=1S/C20H21N9O/c21-10-15-11-25-19(12-24-15)29-18-9-17(26-13-27-18)23-8-4-7-16(22)20(30)28-14-5-2-1-3-6-14/h1-3,5-6,9,11-13,16H,4,7-8,22H2,(H,28,30)(H2,23,25,26,27,29)/t16-/m1/s1
InChIKeyVNMNSCZQXMAAEN-MRXNPFEDSA-N
XLogP2.04
TPSA154.53 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5-[[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]-N-phenylpentanamide?
The IUPAC name of (2R)-2-amino-5-[[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]-N-phenylpentanamide (CID 42610638) is (2R)-2-amino-5-[[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]-N-phenylpentanamide.
What is the SMILES notation for (2R)-2-amino-5-[[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]-N-phenylpentanamide?
The canonical SMILES for (2R)-2-amino-5-[[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]-N-phenylpentanamide is N#Cc1cnc(Nc2cc(NCCC[C@@H](N)C(=O)Nc3ccccc3)ncn2)cn1.
What is the InChIKey of (2R)-2-amino-5-[[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]-N-phenylpentanamide?
The InChIKey is VNMNSCZQXMAAEN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N9O/c21-10-15-11-25-19(12-24-15)29-18-9-17(26-13-27-18)23-8-4-7-16(22)20(30)28-14-5-2-1-3-6-14/h1-3,5-6,9,11-13,16H,4,7-8,22H2,(H,28,30)(H2,23,25,26,27,29)/t16-/m1/s1.
What are the key properties of (2R)-2-amino-5-[[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]-N-phenylpentanamide?
(2R)-2-amino-5-[[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]-N-phenylpentanamide has a molecular weight of 403.45 g/mol, XLogP of 2.04, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5-[[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]-N-phenylpentanamide is sourced from PubChem (CID 42610638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).