N-[1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]acetamide

C20H23N7O — CID 19709367

IUPACN-[1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2ncc3ncnc(Nc4cccc(C)c4)c3n2)CC1
InChIInChI=1S/C20H23N7O/c1-13-4-3-5-16(10-13)25-19-18-17(22-12-23-19)11-21-20(26-18)27-8-6-15(7-9-27)24-14(2)28/h3-5,10-12,15H,6-9H2,1-2H3,(H,24,28)(H,22,23,25)
InChIKeyHQZPODQAJWTMQV-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.58
Rot. Bonds4

About N-[1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]acetamide

N-[1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]acetamide (PubChem CID 19709367) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]acetamide
PubChem CID19709367
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC NameN-[1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2ncc3ncnc(Nc4cccc(C)c4)c3n2)CC1
InChIInChI=1S/C20H23N7O/c1-13-4-3-5-16(10-13)25-19-18-17(22-12-23-19)11-21-20(26-18)27-8-6-15(7-9-27)24-14(2)28/h3-5,10-12,15H,6-9H2,1-2H3,(H,24,28)(H,22,23,25)
InChIKeyHQZPODQAJWTMQV-UHFFFAOYSA-N
XLogP2.58
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl N-[1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]carbamate
CID 19709382
4-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]piperidine-1-carbaldehyde
CID 18967384
ethyl 2-[[1-[4-(3-chloroanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]-methylamino]acetate
CID 54515584
2-methyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-2-ol
CID 151048437
6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 5328346
tert-butyl N-[1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]carbamate
CID 166806984
6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 15295223
6-N-tert-butyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 15295551
2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
CID 15295237
4-[[1-[4-(3-chloroanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]methyl]morpholin-2-one
CID 54191273
2-[[1-[4-(3-chloro-4-fluoroanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]methylamino]acetic acid
CID 54164541
N-(3-chloro-4-fluorophenyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine
CID 18946241

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]acetamide (CID 19709367) is N-[1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2ncc3ncnc(Nc4cccc(C)c4)c3n2)CC1.
What is the InChIKey of N-[1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]acetamide?
The InChIKey is HQZPODQAJWTMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-13-4-3-5-16(10-13)25-19-18-17(22-12-23-19)11-21-20(26-18)27-8-6-15(7-9-27)24-14(2)28/h3-5,10-12,15H,6-9H2,1-2H3,(H,24,28)(H,22,23,25).
What are the key properties of N-[1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]acetamide?
N-[1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 19709367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).