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2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid

C20H26N6O5 — CID 155716326

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid
SMILES[H]/N=C(\C(=O)NC1(c2ncc(C(=O)O)cn2)CC1)C1=C(N)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H26N6O5/c1-19(2,3)31-18(30)26-7-4-13(21)12(10-26)14(22)15(27)25-20(5-6-20)17-23-8-11(9-24-17)16(28)29/h8-9,22H,4-7,10,21H2,1-3H3,(H,25,27)(H,28,29)/b22-14-
InChIKeyQVOOQHYZXQMIBC-HMAPJEAMSA-N
MW430.47 g/mol
LogP1.15
Rot. Bonds5

About 2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid

2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid (PubChem CID 155716326) has the molecular formula C20H26N6O5 and a molecular weight of 430.47 g/mol. Its IUPAC name is 2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid
PubChem CID155716326
Molecular FormulaC20H26N6O5
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC Name2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid
SMILES[H]/N=C(\C(=O)NC1(c2ncc(C(=O)O)cn2)CC1)C1=C(N)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H26N6O5/c1-19(2,3)31-18(30)26-7-4-13(21)12(10-26)14(22)15(27)25-20(5-6-20)17-23-8-11(9-24-17)16(28)29/h8-9,22H,4-7,10,21H2,1-3H3,(H,25,27)(H,28,29)/b22-14-
InChIKeyQVOOQHYZXQMIBC-HMAPJEAMSA-N
XLogP1.15
TPSA171.59 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid (CID 155716326) is 2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid is [H]/N=C(\C(=O)NC1(c2ncc(C(=O)O)cn2)CC1)C1=C(N)CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid?
The InChIKey is QVOOQHYZXQMIBC-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H26N6O5/c1-19(2,3)31-18(30)26-7-4-13(21)12(10-26)14(22)15(27)25-20(5-6-20)17-23-8-11(9-24-17)16(28)29/h8-9,22H,4-7,10,21H2,1-3H3,(H,25,27)(H,28,29)/b22-14-.
What are the key properties of 2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid?
2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid has a molecular weight of 430.47 g/mol, XLogP of 1.15, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 155716326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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