4-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-phenylpyrimidine-5-carboxamide

C18H21N5O3 — CID 53143920

IUPAC4-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-phenylpyrimidine-5-carboxamide
SMILESNc1nc(N2CCC3(CC2)OCCO3)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C18H21N5O3/c19-15-14(16(24)21-13-4-2-1-3-5-13)12-20-17(22-15)23-8-6-18(7-9-23)25-10-11-26-18/h1-5,12H,6-11H2,(H,21,24)(H2,19,20,22)
InChIKeyVYRQQNLQYKVPPV-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.65
Rot. Bonds3

About 4-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-phenylpyrimidine-5-carboxamide

4-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-phenylpyrimidine-5-carboxamide (PubChem CID 53143920) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-phenylpyrimidine-5-carboxamide
PubChem CID53143920
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name4-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-phenylpyrimidine-5-carboxamide
SMILESNc1nc(N2CCC3(CC2)OCCO3)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C18H21N5O3/c19-15-14(16(24)21-13-4-2-1-3-5-13)12-20-17(22-15)23-8-6-18(7-9-23)25-10-11-26-18/h1-5,12H,6-11H2,(H,21,24)(H2,19,20,22)
InChIKeyVYRQQNLQYKVPPV-UHFFFAOYSA-N
XLogP1.65
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 34
CID 5330220
Pyrido[2,3-d]pyrimidin-7-one 2
CID 5330331
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 54
CID 5330240
4-(Benzylamino)-2-(4-morpholinophenylamino)pyrimidine-5-carboxamide
CID 9801356
2-(2-Aminoethylamino)-4-(phenylamino)pyrimidine-5-carboxamide
CID 22958832
4-[(2-Aminobenzyl)amino]-2-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide
CID 23071571
4-Benzylamino-2-[(4-piperidin-1-ylphenyl)amino]pyrimidine-5-carboxamide
CID 44561430
N-(4-fluorophenyl)-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide
CID 142592638
1-[4-(Cyclopentylamino)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl]ethan-1-one
CID 25138221
4-Benzylamino-2-{[4-(4-hydroxypiperidin-1-yl)phenyl]amino}pyrimidine-5-carboxamide
CID 44561428
4-(Benzylamino)-2-[(4-pyrrolidine-1-ylphenyl)-amino]pyrimidine-5-carboxamide
CID 44561429
4-[(2-Fluorobenzyl)amino]-2-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide
CID 44561514

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-phenylpyrimidine-5-carboxamide (CID 53143920) is 4-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-phenylpyrimidine-5-carboxamide is Nc1nc(N2CCC3(CC2)OCCO3)ncc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-phenylpyrimidine-5-carboxamide?
The InChIKey is VYRQQNLQYKVPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c19-15-14(16(24)21-13-4-2-1-3-5-13)12-20-17(22-15)23-8-6-18(7-9-23)25-10-11-26-18/h1-5,12H,6-11H2,(H,21,24)(H2,19,20,22).
What are the key properties of 4-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-phenylpyrimidine-5-carboxamide?
4-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-phenylpyrimidine-5-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 53143920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).