[6-(butan-2-ylamino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C16H24N4O3 — CID 109340625

IUPAC[6-(butan-2-ylamino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCCC(C)Nc1cc(C(=O)N2CCC3(CC2)OCCO3)ncn1
InChIInChI=1S/C16H24N4O3/c1-3-12(2)19-14-10-13(17-11-18-14)15(21)20-6-4-16(5-7-20)22-8-9-23-16/h10-12H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyZRIVIELCLAXGNO-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.67
Rot. Bonds4

About [6-(butan-2-ylamino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

[6-(butan-2-ylamino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 109340625) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is [6-(butan-2-ylamino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[6-(butan-2-ylamino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID109340625
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name[6-(butan-2-ylamino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCCC(C)Nc1cc(C(=O)N2CCC3(CC2)OCCO3)ncn1
InChIInChI=1S/C16H24N4O3/c1-3-12(2)19-14-10-13(17-11-18-14)15(21)20-6-4-16(5-7-20)22-8-9-23-16/h10-12H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyZRIVIELCLAXGNO-UHFFFAOYSA-N
XLogP1.67
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[6-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109338654
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(3-phenylpropylamino)pyrimidin-4-yl]methanone
CID 109352563
[6-(butan-2-ylamino)pyrimidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109340634
1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109345888
6-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109340748
1-[4-[6-(1-phenylethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109345995
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340435
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(2-ethyl-6-methylanilino)-2-methylpyrimidin-4-yl]methanone
CID 109372931
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylbutylamino)-2-pyridinyl]methanone
CID 109193809
[6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 97458122
6-(butan-2-ylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109340762
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylpyridine-4-carboxamide
CID 109088607

Frequently Asked Questions

What is the IUPAC name of [6-(butan-2-ylamino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [6-(butan-2-ylamino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 109340625) is [6-(butan-2-ylamino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [6-(butan-2-ylamino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [6-(butan-2-ylamino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is CCC(C)Nc1cc(C(=O)N2CCC3(CC2)OCCO3)ncn1.
What is the InChIKey of [6-(butan-2-ylamino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is ZRIVIELCLAXGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-3-12(2)19-14-10-13(17-11-18-14)15(21)20-6-4-16(5-7-20)22-8-9-23-16/h10-12H,3-9H2,1-2H3,(H,17,18,19).
What are the key properties of [6-(butan-2-ylamino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
[6-(butan-2-ylamino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 320.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(butan-2-ylamino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 109340625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).