4-[2-[(tert-butylamino)methyl]piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one

C15H26N4O2 — CID 137007961

IUPAC4-[2-[(tert-butylamino)methyl]piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCCCC2CNC(C)(C)C)nc[nH]c1=O
InChIInChI=1S/C15H26N4O2/c1-15(2,3)18-9-11-7-5-6-8-19(11)13-12(21-4)14(20)17-10-16-13/h10-11,18H,5-9H2,1-4H3,(H,16,17,20)
InChIKeyKXVONPPWTZXGQN-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.53
Rot. Bonds4

About 4-[2-[(tert-butylamino)methyl]piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one

4-[2-[(tert-butylamino)methyl]piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 137007961) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-[2-[(tert-butylamino)methyl]piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[(tert-butylamino)methyl]piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID137007961
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4-[2-[(tert-butylamino)methyl]piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCCCC2CNC(C)(C)C)nc[nH]c1=O
InChIInChI=1S/C15H26N4O2/c1-15(2,3)18-9-11-7-5-6-8-19(11)13-12(21-4)14(20)17-10-16-13/h10-11,18H,5-9H2,1-4H3,(H,16,17,20)
InChIKeyKXVONPPWTZXGQN-UHFFFAOYSA-N
XLogP1.53
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672450
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136687969
5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706915
5-methoxy-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731507
4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136733812
4-[(1-amino-3-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136757098
5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778289
4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136780740
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136780759
5-methoxy-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780973
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136780980
5-methoxy-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780988

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(tert-butylamino)methyl]piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[(tert-butylamino)methyl]piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (CID 137007961) is 4-[2-[(tert-butylamino)methyl]piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[(tert-butylamino)methyl]piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[(tert-butylamino)methyl]piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CCCCC2CNC(C)(C)C)nc[nH]c1=O.
What is the InChIKey of 4-[2-[(tert-butylamino)methyl]piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is KXVONPPWTZXGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-15(2,3)18-9-11-7-5-6-8-19(11)13-12(21-4)14(20)17-10-16-13/h10-11,18H,5-9H2,1-4H3,(H,16,17,20).
What are the key properties of 4-[2-[(tert-butylamino)methyl]piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
4-[2-[(tert-butylamino)methyl]piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 294.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(tert-butylamino)methyl]piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 137007961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).