5-chloro-2-cyclopropyl-N-(furan-2-yl)-6-(furan-2-ylmethylamino)-N-methylpyrimidine-4-carboxamide

C18H17ClN4O3 — CID 67094590

IUPAC5-chloro-2-cyclopropyl-N-(furan-2-yl)-6-(furan-2-ylmethylamino)-N-methylpyrimidine-4-carboxamide
SMILESCN(C(=O)c1nc(C2CC2)nc(NCc2ccco2)c1Cl)c1ccco1
InChIInChI=1S/C18H17ClN4O3/c1-23(13-5-3-9-26-13)18(24)15-14(19)17(20-10-12-4-2-8-25-12)22-16(21-15)11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3,(H,20,21,22)
InChIKeyJELXARUKZZPLDN-UHFFFAOYSA-N
MW372.81 g/mol
LogP4.08
Rot. Bonds6

About 5-chloro-2-cyclopropyl-N-(furan-2-yl)-6-(furan-2-ylmethylamino)-N-methylpyrimidine-4-carboxamide

5-chloro-2-cyclopropyl-N-(furan-2-yl)-6-(furan-2-ylmethylamino)-N-methylpyrimidine-4-carboxamide (PubChem CID 67094590) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is 5-chloro-2-cyclopropyl-N-(furan-2-yl)-6-(furan-2-ylmethylamino)-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-cyclopropyl-N-(furan-2-yl)-6-(furan-2-ylmethylamino)-N-methylpyrimidine-4-carboxamide
PubChem CID67094590
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name5-chloro-2-cyclopropyl-N-(furan-2-yl)-6-(furan-2-ylmethylamino)-N-methylpyrimidine-4-carboxamide
SMILESCN(C(=O)c1nc(C2CC2)nc(NCc2ccco2)c1Cl)c1ccco1
InChIInChI=1S/C18H17ClN4O3/c1-23(13-5-3-9-26-13)18(24)15-14(19)17(20-10-12-4-2-8-25-12)22-16(21-15)11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3,(H,20,21,22)
InChIKeyJELXARUKZZPLDN-UHFFFAOYSA-N
XLogP4.08
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid
CID 42642642
1-[5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidin-4-yl]-3-(furan-2-yl)propan-1-one
CID 58220750
5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide;methyl 5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate
CID 158544121
6-chloro-2-cyclopropyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82459286
N-benzyl-6-(benzylamino)-5-chloro-2-cyclopropylpyrimidine-4-carboxamide
CID 67094511
5-chloro-2-cyclopropyl-6-[1-(furan-2-yl)ethylamino]pyrimidine-4-carboxylic acid
CID 58220674
methyl 6-[(5-bromofuran-2-yl)methylamino]-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
CID 58220920
[2-cyclopropyl-4-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 59625555
methyl 5-chloro-2-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate
CID 58220919
1-[6-(benzylamino)-5-chloro-2-cyclopropylpyrimidin-4-yl]-3-phenylpropan-1-one;methyl 6-(benzylamino)-5-chloro-2-cyclopropylpyrimidine-4-carboxylate;methyl 5,6-dichloro-2-cyclopropylpyrimidine-4-carboxylate
CID 159364379
5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid
CID 83869042
methyl 5-chloro-2-cyclopropyl-6-[(2-morpholin-4-ylphenyl)methylamino]pyrimidine-4-carboxylate
CID 58220912

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclopropyl-N-(furan-2-yl)-6-(furan-2-ylmethylamino)-N-methylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-cyclopropyl-N-(furan-2-yl)-6-(furan-2-ylmethylamino)-N-methylpyrimidine-4-carboxamide (CID 67094590) is 5-chloro-2-cyclopropyl-N-(furan-2-yl)-6-(furan-2-ylmethylamino)-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-cyclopropyl-N-(furan-2-yl)-6-(furan-2-ylmethylamino)-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-cyclopropyl-N-(furan-2-yl)-6-(furan-2-ylmethylamino)-N-methylpyrimidine-4-carboxamide is CN(C(=O)c1nc(C2CC2)nc(NCc2ccco2)c1Cl)c1ccco1.
What is the InChIKey of 5-chloro-2-cyclopropyl-N-(furan-2-yl)-6-(furan-2-ylmethylamino)-N-methylpyrimidine-4-carboxamide?
The InChIKey is JELXARUKZZPLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-23(13-5-3-9-26-13)18(24)15-14(19)17(20-10-12-4-2-8-25-12)22-16(21-15)11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3,(H,20,21,22).
What are the key properties of 5-chloro-2-cyclopropyl-N-(furan-2-yl)-6-(furan-2-ylmethylamino)-N-methylpyrimidine-4-carboxamide?
5-chloro-2-cyclopropyl-N-(furan-2-yl)-6-(furan-2-ylmethylamino)-N-methylpyrimidine-4-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclopropyl-N-(furan-2-yl)-6-(furan-2-ylmethylamino)-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 67094590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).