N-cyclopropyl-6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

C21H29N5O2 — CID 126891287

IUPACN-cyclopropyl-6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(Cc3noc4c3CCCC4)CC2)ncn1
InChIInChI=1S/C21H29N5O2/c1-27-21-12-20(22-14-23-21)26(15-6-7-15)16-8-10-25(11-9-16)13-18-17-4-2-3-5-19(17)28-24-18/h12,14-16H,2-11,13H2,1H3
InChIKeyMJYZUZIZSRGMQP-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.99
Rot. Bonds6

About N-cyclopropyl-6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

N-cyclopropyl-6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126891287) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-cyclopropyl-6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126891287
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-cyclopropyl-6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(Cc3noc4c3CCCC4)CC2)ncn1
InChIInChI=1S/C21H29N5O2/c1-27-21-12-20(22-14-23-21)26(15-6-7-15)16-8-10-25(11-9-16)13-18-17-4-2-3-5-19(17)28-24-18/h12,14-16H,2-11,13H2,1H3
InChIKeyMJYZUZIZSRGMQP-UHFFFAOYSA-N
XLogP2.99
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (CID 126891287) is N-cyclopropyl-6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is COc1cc(N(C2CC2)C2CCN(Cc3noc4c3CCCC4)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is MJYZUZIZSRGMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-27-21-12-20(22-14-23-21)26(15-6-7-15)16-8-10-25(11-9-16)13-18-17-4-2-3-5-19(17)28-24-18/h12,14-16H,2-11,13H2,1H3.
What are the key properties of N-cyclopropyl-6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
N-cyclopropyl-6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 383.50 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126891287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).