2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine

C17H28N4O2 — CID 71922518

IUPAC2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cnc(N(C)CC2CCOC2)nc1N(C)CC1CCOC1
InChIInChI=1S/C17H28N4O2/c1-13-8-18-17(21(3)10-15-5-7-23-12-15)19-16(13)20(2)9-14-4-6-22-11-14/h8,14-15H,4-7,9-12H2,1-3H3
InChIKeyNXABCJIKYMXGGR-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.73
Rot. Bonds6

About 2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine

2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 71922518) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID71922518
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cnc(N(C)CC2CCOC2)nc1N(C)CC1CCOC1
InChIInChI=1S/C17H28N4O2/c1-13-8-18-17(21(3)10-15-5-7-23-12-15)19-16(13)20(2)9-14-4-6-22-11-14/h8,14-15H,4-7,9-12H2,1-3H3
InChIKeyNXABCJIKYMXGGR-UHFFFAOYSA-N
XLogP1.73
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine (CID 71922518) is 2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine is Cc1cnc(N(C)CC2CCOC2)nc1N(C)CC1CCOC1.
What is the InChIKey of 2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is NXABCJIKYMXGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-8-18-17(21(3)10-15-5-7-23-12-15)19-16(13)20(2)9-14-4-6-22-11-14/h8,14-15H,4-7,9-12H2,1-3H3.
What are the key properties of 2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine?
2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 320.44 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71922518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).