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

C15H26N4O — CID 83185887

IUPACN,4-dimethyl-N-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
SMILESCc1nc(N(C)C2CCOCC2)ncc1CNC(C)C
InChIInChI=1S/C15H26N4O/c1-11(2)16-9-13-10-17-15(18-12(13)3)19(4)14-5-7-20-8-6-14/h10-11,14,16H,5-9H2,1-4H3
InChIKeyDGAXAXIVVJOJCD-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.90
Rot. Bonds5

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

N,4-dimethyl-N-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine (PubChem CID 83185887) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N,4-dimethyl-N-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
PubChem CID83185887
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN,4-dimethyl-N-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
SMILESCc1nc(N(C)C2CCOCC2)ncc1CNC(C)C
InChIInChI=1S/C15H26N4O/c1-11(2)16-9-13-10-17-15(18-12(13)3)19(4)14-5-7-20-8-6-14/h10-11,14,16H,5-9H2,1-4H3
InChIKeyDGAXAXIVVJOJCD-UHFFFAOYSA-N
XLogP1.90
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-N-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine (CID 83185887) is N,4-dimethyl-N-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-N-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-N-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine is Cc1nc(N(C)C2CCOCC2)ncc1CNC(C)C.
What is the InChIKey of N,4-dimethyl-N-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine?
The InChIKey is DGAXAXIVVJOJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)16-9-13-10-17-15(18-12(13)3)19(4)14-5-7-20-8-6-14/h10-11,14,16H,5-9H2,1-4H3.
What are the key properties of N,4-dimethyl-N-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine?
N,4-dimethyl-N-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine has a molecular weight of 278.40 g/mol, XLogP of 1.90, 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-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine is sourced from PubChem (CID 83185887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).