6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine

C13H21N5O — CID 77233652

IUPAC6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
SMILESc1nc(NCC2CCCO2)cc(NC2CCNC2)n1
InChIInChI=1S/C13H21N5O/c1-2-11(19-5-1)8-15-12-6-13(17-9-16-12)18-10-3-4-14-7-10/h6,9-11,14H,1-5,7-8H2,(H2,15,16,17,18)
InChIKeyIDXPLIPVXMRRRZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.84
Rot. Bonds5

About 6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine

6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine (PubChem CID 77233652) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
PubChem CID77233652
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
SMILESc1nc(NCC2CCCO2)cc(NC2CCNC2)n1
InChIInChI=1S/C13H21N5O/c1-2-11(19-5-1)8-15-12-6-13(17-9-16-12)18-10-3-4-14-7-10/h6,9-11,14H,1-5,7-8H2,(H2,15,16,17,18)
InChIKeyIDXPLIPVXMRRRZ-UHFFFAOYSA-N
XLogP0.84
TPSA71.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 115264180
6-N-(3,3-dimethylbutyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 67157079
N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 138033732
4-N-(oxolan-2-ylmethyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112857212
4-N-(oxolan-2-ylmethyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112857213
6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71639835
N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine
CID 1408931
6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112857200
4-N-(4-ethylphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857276
4-N-(oxolan-2-ylmethyl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112857246
6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319236

Frequently Asked Questions

What is the IUPAC name of 6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine (CID 77233652) is 6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine is c1nc(NCC2CCCO2)cc(NC2CCNC2)n1.
What is the InChIKey of 6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine?
The InChIKey is IDXPLIPVXMRRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-11(19-5-1)8-15-12-6-13(17-9-16-12)18-10-3-4-14-7-10/h6,9-11,14H,1-5,7-8H2,(H2,15,16,17,18).
What are the key properties of 6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine?
6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine has a molecular weight of 263.34 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 77233652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).