N,4-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine

C14H24N4O — CID 83189633

IUPACN,4-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
SMILESCc1nc(N(C)C2CCOC2)ncc1CNC(C)C
InChIInChI=1S/C14H24N4O/c1-10(2)15-7-12-8-16-14(17-11(12)3)18(4)13-5-6-19-9-13/h8,10,13,15H,5-7,9H2,1-4H3
InChIKeyQBPVUXNJQQFFHT-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.51
Rot. Bonds5

About N,4-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine

N,4-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine (PubChem CID 83189633) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N,4-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
PubChem CID83189633
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN,4-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
SMILESCc1nc(N(C)C2CCOC2)ncc1CNC(C)C
InChIInChI=1S/C14H24N4O/c1-10(2)15-7-12-8-16-14(17-11(12)3)18(4)13-5-6-19-9-13/h8,10,13,15H,5-7,9H2,1-4H3
InChIKeyQBPVUXNJQQFFHT-UHFFFAOYSA-N
XLogP1.51
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-N-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185887
N,4-dimethyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83189478
N,4-dimethyl-5-(methylaminomethyl)-N-(oxan-4-yl)pyrimidin-2-amine
CID 83185622
5-(chloromethyl)-N,4-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 83183810
N,2-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 82754948
[4-methyl-2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]methanol
CID 83184886
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine
CID 83185162
N-methyl-N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 82754235
N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyrimidin-4-amine
CID 114216480
N-ethyl-4-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185946
5-(chloromethyl)-N-cycloheptyl-N,4-dimethylpyrimidin-2-amine
CID 83184574
N,N-dimethyl-1-[4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine
CID 83185385

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine (CID 83189633) is N,4-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine is Cc1nc(N(C)C2CCOC2)ncc1CNC(C)C.
What is the InChIKey of N,4-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine?
The InChIKey is QBPVUXNJQQFFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)15-7-12-8-16-14(17-11(12)3)18(4)13-5-6-19-9-13/h8,10,13,15H,5-7,9H2,1-4H3.
What are the key properties of N,4-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine?
N,4-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine has a molecular weight of 264.37 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine is sourced from PubChem (CID 83189633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).