6-butan-2-yl-N-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C18H31N5 — CID 118739370

IUPAC6-butan-2-yl-N-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCCC(C)N1CCc2nc(N3CCCC3)nc(NC(C)C)c2C1
InChIInChI=1S/C18H31N5/c1-5-14(4)23-11-8-16-15(12-23)17(19-13(2)3)21-18(20-16)22-9-6-7-10-22/h13-14H,5-12H2,1-4H3,(H,19,20,21)
InChIKeyUDWVXMIVRNHUPV-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.05
Rot. Bonds5

About 6-butan-2-yl-N-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

6-butan-2-yl-N-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 118739370) has the molecular formula C18H31N5 and a molecular weight of 317.48 g/mol. Its IUPAC name is 6-butan-2-yl-N-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-butan-2-yl-N-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID118739370
Molecular FormulaC18H31N5
Molecular Weight317.48 g/mol
Exact Mass317.26
IUPAC Name6-butan-2-yl-N-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCCC(C)N1CCc2nc(N3CCCC3)nc(NC(C)C)c2C1
InChIInChI=1S/C18H31N5/c1-5-14(4)23-11-8-16-15(12-23)17(19-13(2)3)21-18(20-16)22-9-6-7-10-22/h13-14H,5-12H2,1-4H3,(H,19,20,21)
InChIKeyUDWVXMIVRNHUPV-UHFFFAOYSA-N
XLogP3.05
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-N-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 6-butan-2-yl-N-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 118739370) is 6-butan-2-yl-N-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-butan-2-yl-N-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-butan-2-yl-N-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is CCC(C)N1CCc2nc(N3CCCC3)nc(NC(C)C)c2C1.
What is the InChIKey of 6-butan-2-yl-N-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is UDWVXMIVRNHUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5/c1-5-14(4)23-11-8-16-15(12-23)17(19-13(2)3)21-18(20-16)22-9-6-7-10-22/h13-14H,5-12H2,1-4H3,(H,19,20,21).
What are the key properties of 6-butan-2-yl-N-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
6-butan-2-yl-N-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 317.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-N-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118739370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).