4-[2-[bis(2-methylpropyl)amino]ethoxy]pyrimidin-2-amine

C14H26N4O — CID 3025153

IUPAC4-[2-[bis(2-methylpropyl)amino]ethoxy]pyrimidin-2-amine
SMILESCC(C)CN(CCOc1ccnc(N)n1)CC(C)C
InChIInChI=1S/C14H26N4O/c1-11(2)9-18(10-12(3)4)7-8-19-13-5-6-16-14(15)17-13/h5-6,11-12H,7-10H2,1-4H3,(H2,15,16,17)
InChIKeyPCQHIQNBBCVCED-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.05
Rot. Bonds8

About 4-[2-[bis(2-methylpropyl)amino]ethoxy]pyrimidin-2-amine

4-[2-[bis(2-methylpropyl)amino]ethoxy]pyrimidin-2-amine (PubChem CID 3025153) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-[2-[bis(2-methylpropyl)amino]ethoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[bis(2-methylpropyl)amino]ethoxy]pyrimidin-2-amine
PubChem CID3025153
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-[2-[bis(2-methylpropyl)amino]ethoxy]pyrimidin-2-amine
SMILESCC(C)CN(CCOc1ccnc(N)n1)CC(C)C
InChIInChI=1S/C14H26N4O/c1-11(2)9-18(10-12(3)4)7-8-19-13-5-6-16-14(15)17-13/h5-6,11-12H,7-10H2,1-4H3,(H2,15,16,17)
InChIKeyPCQHIQNBBCVCED-UHFFFAOYSA-N
XLogP2.05
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(2-methylpropyl)amino]ethoxy]pyrimidin-2-amine?
The IUPAC name of 4-[2-[bis(2-methylpropyl)amino]ethoxy]pyrimidin-2-amine (CID 3025153) is 4-[2-[bis(2-methylpropyl)amino]ethoxy]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-[bis(2-methylpropyl)amino]ethoxy]pyrimidin-2-amine?
The canonical SMILES for 4-[2-[bis(2-methylpropyl)amino]ethoxy]pyrimidin-2-amine is CC(C)CN(CCOc1ccnc(N)n1)CC(C)C.
What is the InChIKey of 4-[2-[bis(2-methylpropyl)amino]ethoxy]pyrimidin-2-amine?
The InChIKey is PCQHIQNBBCVCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11(2)9-18(10-12(3)4)7-8-19-13-5-6-16-14(15)17-13/h5-6,11-12H,7-10H2,1-4H3,(H2,15,16,17).
What are the key properties of 4-[2-[bis(2-methylpropyl)amino]ethoxy]pyrimidin-2-amine?
4-[2-[bis(2-methylpropyl)amino]ethoxy]pyrimidin-2-amine has a molecular weight of 266.39 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(2-methylpropyl)amino]ethoxy]pyrimidin-2-amine is sourced from PubChem (CID 3025153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).