N-cyclopropyl-3-[5-fluoro-4-(2-methylpropylideneamino)pyrimidin-2-yl]-N-methyl-2,3-dihydro-1H-pyrrole-5-carboxamide

C17H22FN5O — CID 71064680

IUPACN-cyclopropyl-3-[5-fluoro-4-(2-methylpropylideneamino)pyrimidin-2-yl]-N-methyl-2,3-dihydro-1H-pyrrole-5-carboxamide
SMILESCC(C)/C=N/c1nc(C2C=C(C(=O)N(C)C3CC3)NC2)ncc1F
InChIInChI=1S/C17H22FN5O/c1-10(2)7-20-16-13(18)9-21-15(22-16)11-6-14(19-8-11)17(24)23(3)12-4-5-12/h6-7,9-12,19H,4-5,8H2,1-3H3/b20-7+
InChIKeyWFGOXHHBUTWHDN-IFRROFPPSA-N
MW331.40 g/mol
LogP2.17
Rot. Bonds5

About N-cyclopropyl-3-[5-fluoro-4-(2-methylpropylideneamino)pyrimidin-2-yl]-N-methyl-2,3-dihydro-1H-pyrrole-5-carboxamide

N-cyclopropyl-3-[5-fluoro-4-(2-methylpropylideneamino)pyrimidin-2-yl]-N-methyl-2,3-dihydro-1H-pyrrole-5-carboxamide (PubChem CID 71064680) has the molecular formula C17H22FN5O and a molecular weight of 331.40 g/mol. Its IUPAC name is N-cyclopropyl-3-[5-fluoro-4-(2-methylpropylideneamino)pyrimidin-2-yl]-N-methyl-2,3-dihydro-1H-pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[5-fluoro-4-(2-methylpropylideneamino)pyrimidin-2-yl]-N-methyl-2,3-dihydro-1H-pyrrole-5-carboxamide
PubChem CID71064680
Molecular FormulaC17H22FN5O
Molecular Weight331.40 g/mol
Exact Mass331.18
IUPAC NameN-cyclopropyl-3-[5-fluoro-4-(2-methylpropylideneamino)pyrimidin-2-yl]-N-methyl-2,3-dihydro-1H-pyrrole-5-carboxamide
SMILESCC(C)/C=N/c1nc(C2C=C(C(=O)N(C)C3CC3)NC2)ncc1F
InChIInChI=1S/C17H22FN5O/c1-10(2)7-20-16-13(18)9-21-15(22-16)11-6-14(19-8-11)17(24)23(3)12-4-5-12/h6-7,9-12,19H,4-5,8H2,1-3H3/b20-7+
InChIKeyWFGOXHHBUTWHDN-IFRROFPPSA-N
XLogP2.17
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[5-fluoro-4-(2-methylpropylideneamino)pyrimidin-2-yl]-N-methyl-2,3-dihydro-1H-pyrrole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-[5-fluoro-4-(2-methylpropylideneamino)pyrimidin-2-yl]-N-methyl-2,3-dihydro-1H-pyrrole-5-carboxamide (CID 71064680) is N-cyclopropyl-3-[5-fluoro-4-(2-methylpropylideneamino)pyrimidin-2-yl]-N-methyl-2,3-dihydro-1H-pyrrole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[5-fluoro-4-(2-methylpropylideneamino)pyrimidin-2-yl]-N-methyl-2,3-dihydro-1H-pyrrole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[5-fluoro-4-(2-methylpropylideneamino)pyrimidin-2-yl]-N-methyl-2,3-dihydro-1H-pyrrole-5-carboxamide is CC(C)/C=N/c1nc(C2C=C(C(=O)N(C)C3CC3)NC2)ncc1F.
What is the InChIKey of N-cyclopropyl-3-[5-fluoro-4-(2-methylpropylideneamino)pyrimidin-2-yl]-N-methyl-2,3-dihydro-1H-pyrrole-5-carboxamide?
The InChIKey is WFGOXHHBUTWHDN-IFRROFPPSA-N. The full InChI is InChI=1S/C17H22FN5O/c1-10(2)7-20-16-13(18)9-21-15(22-16)11-6-14(19-8-11)17(24)23(3)12-4-5-12/h6-7,9-12,19H,4-5,8H2,1-3H3/b20-7+.
What are the key properties of N-cyclopropyl-3-[5-fluoro-4-(2-methylpropylideneamino)pyrimidin-2-yl]-N-methyl-2,3-dihydro-1H-pyrrole-5-carboxamide?
N-cyclopropyl-3-[5-fluoro-4-(2-methylpropylideneamino)pyrimidin-2-yl]-N-methyl-2,3-dihydro-1H-pyrrole-5-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[5-fluoro-4-(2-methylpropylideneamino)pyrimidin-2-yl]-N-methyl-2,3-dihydro-1H-pyrrole-5-carboxamide is sourced from PubChem (CID 71064680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).