1-[5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidin-4-yl]-3-(furan-2-yl)propan-1-one

C19H18ClN3O3 — CID 58220750

IUPAC1-[5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidin-4-yl]-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)c1nc(C2CC2)nc(NCc2ccco2)c1Cl
InChIInChI=1S/C19H18ClN3O3/c20-16-17(15(24)8-7-13-3-1-9-25-13)22-18(12-5-6-12)23-19(16)21-11-14-4-2-10-26-14/h1-4,9-10,12H,5-8,11H2,(H,21,22,23)
InChIKeyVXRJLHQSALMALG-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.62
Rot. Bonds8

About 1-[5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidin-4-yl]-3-(furan-2-yl)propan-1-one

1-[5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidin-4-yl]-3-(furan-2-yl)propan-1-one (PubChem CID 58220750) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 1-[5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidin-4-yl]-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidin-4-yl]-3-(furan-2-yl)propan-1-one
PubChem CID58220750
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name1-[5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidin-4-yl]-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)c1nc(C2CC2)nc(NCc2ccco2)c1Cl
InChIInChI=1S/C19H18ClN3O3/c20-16-17(15(24)8-7-13-3-1-9-25-13)22-18(12-5-6-12)23-19(16)21-11-14-4-2-10-26-14/h1-4,9-10,12H,5-8,11H2,(H,21,22,23)
InChIKeyVXRJLHQSALMALG-UHFFFAOYSA-N
XLogP4.62
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.62
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
5-chloro-2-cyclopropyl-N-(furan-2-yl)-6-(furan-2-ylmethylamino)-N-methylpyrimidine-4-carboxamide
CID 67094590
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
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
N-benzyl-6-(benzylamino)-5-chloro-2-cyclopropylpyrimidine-4-carboxamide
CID 67094511
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-cyclopropyl-6-[2-(3H-inden-1-yl)ethylamino]pyrimidine-4-carboxylate
CID 58220652
methyl 5-chloro-6-(furan-2-ylmethylamino)-2-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxylate
CID 67095104
methyl 5-chloro-2-cyclopropyl-6-[(2-morpholin-4-ylphenyl)methylamino]pyrimidine-4-carboxylate
CID 58220912
6-(furan-2-yl)hexane-2,4-dione
CID 155288881

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidin-4-yl]-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-[5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidin-4-yl]-3-(furan-2-yl)propan-1-one (CID 58220750) is 1-[5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidin-4-yl]-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-[5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidin-4-yl]-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-[5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidin-4-yl]-3-(furan-2-yl)propan-1-one is O=C(CCc1ccco1)c1nc(C2CC2)nc(NCc2ccco2)c1Cl.
What is the InChIKey of 1-[5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidin-4-yl]-3-(furan-2-yl)propan-1-one?
The InChIKey is VXRJLHQSALMALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-16-17(15(24)8-7-13-3-1-9-25-13)22-18(12-5-6-12)23-19(16)21-11-14-4-2-10-26-14/h1-4,9-10,12H,5-8,11H2,(H,21,22,23).
What are the key properties of 1-[5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidin-4-yl]-3-(furan-2-yl)propan-1-one?
1-[5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidin-4-yl]-3-(furan-2-yl)propan-1-one has a molecular weight of 371.82 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidin-4-yl]-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 58220750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).